Login

1-{[(4R,7S,10S,13S,16S)-7-(2-Amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-benzyl-16-(4-hydroxybenzyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-4-yl]carbonyl}-L-prolyl-D-argin ylglycinamide acetate (1:2) | CAS No. 16789-98-3

1-{[(4R,7S,10S,13S,16S)-7-(2-Amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-benzyl-16-(4-hydroxybenzyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-4-yl]carbonyl}-L-prolyl-D-argin ylglycinamide acetate (1:2)

Basic Information

Chemical_Structure_Of
View in Editor

CAS Number

16789-98-3

Molecular Formula

C50H72N14O16S2

Molecular Weight

1189.34 g/mol

AD

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids
Basic Chemical Raw Materials Organic Chemicals Amines
Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds
Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates
Fine Chemicals Dyes and Pigments Organic Dyes
Fine Chemicals Surfactants Anionic Surfactants
Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Density

1.56

SMILES

View in Editor

CC(=O)O.CC(=O)O.C1CC(N(C1)C(=O)C2CSSCCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2)CC(=O)N)CCC(=O)N)CC3=CC=CC=C3)CC4=CC=C(C=C4)O)C(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)N

InChI

InChI=1S/C46H64N14O12S2.2C2H4O2/c47-35(62)15-14-29-40(67)58-32(22-36(48)63)43(70)59-33(45(72)60-18-5-9-34(60)44(71)56-28(8-4-17-52-46(50)51)39(66)53-23-37(49)64)24-74-73-19-16-38(65)54-30(21-26-10-12-27(61)13-11-26)41(68)57-31(42(69)55-29)20-25-6-2-1-3-7-25;2*1-2(3)4/h1-3,6-7,10-13,28-34,61H,4-5,8-9,14-24H2,(H2,47,62)(H2,48,63)(H2,49,64)(H,53,66)(H,54,65)(H,55,69)(H,56,71)(H,57,68)(H,58,67)(H,59,70)(H4,50,51,52);2*1H3,(H,3,4)/t28-,29+,30+,31+,32+,33+,34+;;/m1../s1

InChIKey

GNASTRMPURYAFJ-VCCVNBJCSA-N

LogP

-3.9502300000000172

Topological Polar Surface Area

510.0099999999998 Ų

Hydrogen Bond Donor/Acceptor

20 / 30

Complexity

2070

Safety Information

View Safety Information

GHS Hazard Pictograms

H332H332

Hazard Statement

H332 Harmful if inhaled
Acute toxicity, inhalation

Synonyms & References

English

  • Vasopressin, 1-(3-mercaptopropanoic acid)-8-D-arginine-, diacetate (salt)
  • Desmopressin diacetate anhydrous
  • acetic acid;(2S)-N-[(2R)-1-[(2-amino-2-oxoethyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-1-[(4R,7S,10S,13S,16S)-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-benzyl-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]pyrrolidine-2-carboxamide
  • Q27253805
  • 1-Deamino-8-D-arginine-vasopressin diacetate
  • (S)-1-((4R,7S,10S,13S,16S)-7-(2-Amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-benzyl-16-(4-hydroxybenzyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosane-4-carbonyl)-N-((R)-1-((2-amino-2-oxoethyl)amino)-5-guanidino-1-oxopentan-2-yl)pyrrolidine-2-carboxamide diacetate
  • Desmopressin diacetate
  • 242K8LE2BC
  • Desmopressin acetate
  • UNII-242K8LE2BC
  • 1-(3-MERCAPTOPROPIONIC ACID)-8-D-ARGININE-VASOPRESSIN DIACETATE (SALT)
  • Glycinamide, N-(3-mercapto-1-oxopropyl)-L-tyrosyl-L-phenylalanyl-L-glutaminyl-L-asparaginyl-L-cysteinyl-L-prolyl-D-arginyl-, cyclic (1-->5)-disulfide, acetate (1:2)
  • Desmopressin Acetate(1:2)
  • 16789-98-3
  • DESMOPRESSIN DIACETATE [WHO-DD]
  • 3-MERCAPTOPROPIONYL-TYR-PHE-GLN-ASN-CYS-PRO-D-ARG-GLY-NH2 ACETATE SALT
  • DDAVP ACETATE
  • [DEAMINO-CYS1,D-ARG8]-VASOPRESSIN ACETATE SALT
  • DESMOPRESSIN MONOACETATE
  • Desmopressin
  • 1-(3-mercaptopropionic acid)-8-d-arginine-vasopressin diacetate
  • 1-deamino-8-d-arginine-vasopressin diacetate
  • ddavp
  • LKT Desmopressin
  • Desmopressin (ADH)
  • DESMORESSIN ACETATE
  • DDAVP, Desmopressin
  • DesMopressin (diacetate)
  • DESMOPRESSIN ACETATE SALT
  • acetic acid; N-[1-[(2-amino-2-oxoethyl)amino]-5-(diaminometh

MDL Number

MFCD00133962

FAQ

What are the physical and chemical properties of 1-{[(4R,7S,10S,13S,16S)-7-(2-Amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-benzyl-16-(4-hydroxybenzyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-4-yl]carbonyl}-L-prolyl-D-arginylglycinamide acetate (1:2) (CAS: 16789-98-3)?
This compound is a crystalline solid with a high molecular weight. It has a low aqueous solubility but excellent solubility in organic solvents such as dimethyl sulfoxide (DMSO). The compound exhibits moderate reactivity, particularly towards nucleophiles and bases. It is stable under neutral pH conditions but may degrade under acidic or basic conditions. Additionally, it is prone to hydrolysis in the presence of water.

How is 1-{[(4R,7S,10S,13S,16S)-7-(2-Amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-benzyl-16-(4-hydroxybenzyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-4-yl]carbonyl}-L-prolyl-D-arginylglycinamide acetate (1:2) (CAS: 16789-98-3) typically synthesized?
This compound is synthesized through a multi-step process involving the coupling of amino acids and peptide synthesis techniques. The reaction typically requires the use of coupling agents such as N,N'-diisopropylcarbodiimide (DIC) and 1-hydroxybenzotriazole (HOBT). The reaction is carried out in anhydrous conditions to minimize side reactions. The yield is generally between 60% and 70% with good selectivity towards the desired product.

What industries use 1-{[(4R,7S,10S,13S,16S)-7-(2-Amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-benzyl-16-(4-hydroxybenzyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-4-yl]carbonyl}-L-prolyl-D-arginylglycinamide acetate (1:2) (CAS: 16789-98-3)?
This compound is primarily used in the pharmaceutical industry for the development of novel drugs and as a research reagent. It may also find applications in biotechnology for the synthesis of complex peptides and in materials science for the synthesis of polymeric materials with specific functional groups.

What precautions should be taken when handling 1-{[(4R,7S,10S,13S,16S)-7-(2-Amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-benzyl-16-(4-hydroxybenzyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-4-yl]carbonyl}-L-prolyl-D-arginylglycinamide acetate (1:2) (CAS: 16789-98-3)?
When handling this compound, appropriate personal protective equipment (PPE) should be worn, including gloves, lab coat, and safety goggles. Work should be conducted in a well-ventilated area or a fume hood. Spills should be cleaned up immediately using appropriate absorbent materials. The SDS (Safety Data Sheet) should be consulted for detailed information on handling and storage. The compound is sensitive to moisture and should be stored in a desiccator or under a nitrogen atmosphere to prevent hydrolysis.

Related Compounds

You might also like

Compound Q&A

What is 6-Methyl-7-oxabicyclo[4.1.0]heptan-2-one (CAS: 21889-89-4)?

6-Methyl-7-oxabicyclo[4.1.0]heptan-2-one is a cyclic ketone with a molecular for...

21889-89-46-Methyl-7-oxabicycl...
Compound Q&A

What is 4-[(6-Methyl-2-pyrazinyl)oxy]benzoic acid (CAS: 906353-00-2)?

4-[(6-Methyl-2-pyrazinyl)oxy]benzoic acid is a chemical compound with the CAS nu...

906353-00-24-[(6-Methyl-2-pyraz...
Compound Q&A

What is 2-(2-Pyridinyl)-1,3-propanediol (CAS: 49745-42-8)?

2-(2-Pyridinyl)-1,3-propanediol (CAS: 49745-42-8) is a colorless to slightly yel...

49745-42-82-(2-Pyridinyl)-1,3-...
Compound Q&A

What is 2-(6-Chloro-2-pyridinyl)-2-phenylacetonitrile (CAS: 24783-42-4)?

2-(6-Chloro-2-pyridinyl)-2-phenylacetonitrile is an organic compound with the CA...

24783-42-42-(6-Chloro-2-pyridi...
Compound Q&A

What is 2-Oxopropanamide (CAS: 631-66-3)?

2-Oxopropanamide, also known as 2-aminoacrylic acid, is a chemical compound with...

631-66-32-Oxopropanamide
Compound Q&A

What is 2-Methyl-2-propanyl 4-(5-bromo-6-methyl-2-pyridinyl)-1-piperazinecarboxylate (CAS: 1289040-88-5)?

2-Methyl-2-propanyl 4-(5-bromo-6-methyl-2-pyridinyl)-1-piperazinecarboxylate (CA...

1289040-88-52-Methyl-2-propanyl ...
Compound Q&A

What is NAMPT inhibitor-linker 1 (CAS: 2241019-57-6)?

NAMPT inhibitor-linker 1 (CAS: 2241019-57-6) is a chemical compound designed as ...

2241019-57-6NAMPT inhibitor-link...
Compound Q&A

What is (2-(2,2,2-Trifluoroacetyl)pyridin-4-yl)boronic acid (CAS: 1310404-58-0)?

It is a chemical compound with the structure (2-(2,2,2-Trifluoroacetyl)pyridin-4...

1310404-58-0(2-(2,2,2-Trifluoroa...
Compound Q&A

What is 1-(2-Chlorophenyl)-6-(3,3,3-trifluoro-2-methylpropyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one (CAS: 794568-90-4)?

1-(2-Chlorophenyl)-6-(3,3,3-trifluoro-2-methylpropyl)-1,5-dihydro-4H-pyrazolo[3,...

794568-90-41-(2-Chlorophenyl)-6...
Compound Q&A

What is Vinyl(chloromethyl)dimethoxysilane (CAS: 1314981-48-0)?

Vinyl(chloromethyl)dimethoxysilane is an organosilicon compound with the molecul...

1314981-48-0Vinyl(chloromethyl)d...

Supplier Information

Shanghai Hansi Chemical Co., Ltd.

CAS Number: 16789-98-3

View Details
1-{[(4R,7S,10S,13S,16S)-7-(2-Amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-benzyl-16-(4-hydroxybenzyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-4-yl]carbonyl}-L-prolyl-D-argin ylglycinamide acetate (1:2) — HuBeiYongKuo Technology Co Ltd

HuBeiYongKuo Technology Co Ltd

CAS Number: 16789-98-3

View Details

Peishi Biotechnology Co., Ltd.

CAS Number: 16789-98-3

View Details

HuBeiJuSheng Technology Co Ltd

CAS Number: 16789-98-3

View Details
1-{[(4R,7S,10S,13S,16S)-7-(2-Amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-benzyl-16-(4-hydroxybenzyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-4-yl]carbonyl}-L-prolyl-D-argin ylglycinamide acetate (1:2) — HuBeiMoDe Chemical Co Ltd

HuBeiMoDe Chemical Co Ltd

CAS Number: 16789-98-3

View Details

SuZhouTianMaYiYaoJiTuanTianJiShengWuZhiYao Co Ltd

CAS Number: 16789-98-3

View Details

ChengDouBiaoYang Biotechnology Co Ltd

CAS Number: 16789-98-3

View Details

Shenzhen JYMed Technology Co.,Ltd.

CAS Number: 16789-98-3

View Details

Hubei Jiuzhi Biological Engineering Co., Ltd.

CAS Number: 16789-98-3

View Details
1-{[(4R,7S,10S,13S,16S)-7-(2-Amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-benzyl-16-(4-hydroxybenzyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-4-yl]carbonyl}-L-prolyl-D-argin ylglycinamide acetate (1:2) — ShangHaiJiZhiShengHua Technology Co Ltd

ShangHaiJiZhiShengHua Technology Co Ltd

CAS Number: 16789-98-3

View Details

HuBeiXinGongLi Chemical Co Ltd

CAS Number: 16789-98-3

View Details

Shanghai Weiling BioScience Technology Co., Ltd.

CAS Number: 16789-98-3

View Details

Hubei Shixing Chemical Co., Ltd.

CAS Number: 16789-98-3

View Details
1-{[(4R,7S,10S,13S,16S)-7-(2-Amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-benzyl-16-(4-hydroxybenzyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-4-yl]carbonyl}-L-prolyl-D-argin ylglycinamide acetate (1:2) — HuBeiShiShun Biotechnology Co Ltd

HuBeiShiShun Biotechnology Co Ltd

CAS Number: 16789-98-3

View Details

ShunBoShengWuGongChengJiShu Co Ltd

CAS Number: 16789-98-3

View Details

This website uses cookies to ensure basic functionality and enhance your experience. We use:

  • Essential cookies: Required for core site features (authentication, security). These cannot be disabled.
  • Analytics cookies: Help us understand site usage to improve our service.

You can change your preferences at any time in our Privacy Settings. See our Privacy Policy for more details.