1-{[(4R,7S,10S,13S,16S,19R)-19-Amino-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-p rolyl-L-lysylglycinamide

Basic Information

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CAS Number

50-57-7

Molecular Formula

C46H65N13O12S2

Molecular Weight

1056.24 g/mol

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

Melting Point

No data available

Boiling Point

1610.4°C at 760 mmHg

Flash Point

927.7°C

Refractive Index

1.58

Vapor Pressure

0mmHg at 25°C

SMILES

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C1CC(N(C1)C(=O)C2CSSCC(C(=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)N)C(=O)NC(CCCCN)C(=O)NCC(=O)N

InChI

InChI=1S/C46H65N13O12S2/c47-17-5-4-9-29(40(65)52-22-38(51)63)54-45(70)35-10-6-18-59(35)46(71)34-24-73-72-23-28(48)39(64)55-31(20-26-11-13-27(60)14-12-26)43(68)56-32(19-25-7-2-1-3-8-25)42(67)53-30(15-16-36(49)61)41(66)57-33(21-37(50)62)44(69)58-34/h1-3,7-8,11-14,28-35,60H,4-6,9-10,15-24,47-48H2,(H2,49,61)(H2,50,62)(H2,51,63)(H,52,65)(H,53,67)(H,54,70)(H,55,64)(H,56,68)(H,57,66)(H,58,69)/t28-,29-,30-,31-,32-,33-,34-,35-/m0/s1

InChIKey

BJFIDCADFRDPIO-DZCXQCEKSA-N

LogP

-4.329100000000014

Topological Polar Surface Area

425.5499999999999 Å²

Hydrogen Bond Donor/Acceptor

18 / 25

Complexity

1960

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

50-57-7
Diapid
CHEBI:94802
BRD-K93331255-001-01-2
3-(Phenylalanine)-8-lysine oxytocin
NCGC00181743-02
Vasopressin (lysine form)
EINECS 200-050-5
Lypressinum [INN-Latin]
NCGC00181743-01
L-lysinamide,
Tox21_113427
Vasopressin pig
C46-H65-N13-O12-S2
Tox21_112902
MFCD00076754
(Lys8)-Vasopressin
(8-Lysine)vasopressin
8-L-Lysine vasopressin
C75370
DB14642
[Lys8]-VasopressinLysine vasopressin
C46H65N13O12S2
Lypressine
Oxytocin, 3-(L-phenylalanine)-8-L-lysine-
8-L-Lysinevasopressin
Glycinamide, L-cysteinyl-L-tyrosyl-L-phenylalanyl-L-glutaminyl-L-asparaginyl-L-cysteinyl-L-prolyl-L-lysyl-, cyclic (1>6)-disulfide
L-Cysteinyl-L-tyrosyl-L-phenylalanyl-L-glutaminyl-L-asparaginyl-L-cysteinyl-L-prolyl-L-lysylglycinamide cyclic (1->6)-disulfide
DTXCID8028501
Lipressina [DCIT]
Lypressin [USAN:BAN:INN]

MDL Number

MFCD00076754

FAQ

What regulatory guidelines apply to 1-{[(4R,7S,10S,13S,16S,19R)-19-Amino-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-L-lysylglycinamide (CAS: 50-57-7)?

Regulatory guidelines for this compound include those under the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), as well as specific regulations from the European Union's REACH program. Additionally, the U.S. Food and Drug Administration (FDA) and Environmental Protection Agency (EPA) may have specific requirements depending on the intended use of the compound. Companies must consult the latest regulatory guidelines for compliance and ensure proper labeling, handling, and reporting.

Are there alternatives to 1-{[(4R,7S,10S,13S,16S,19R)-19-Amino-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-L-lysylglycinamide in synthesis (CAS: 50-57-7)?

There are several alternatives to this compound in synthesis, including related amino acids and their derivatives. Common substitutes include 1-prolyl-L-lysine and other cyclic peptides. Researchers often explore these alternatives based on specific functional requirements and availability of reagents.

What is the market or research trend for 1-{[(4R,7S,10S,13S,16S,19R)-19-Amino-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-L-lysylglycinamide (CAS: 50-57-7)?

Market trends for this compound are driven by its potential applications in pharmaceuticals, especially in drug discovery and development. Research is focusing on its use as a bioactive compound in treating various diseases. Market trends also reflect increasing interest in cyclic peptides as drug candidates due to their favorable pharmacokinetic properties and target specificity.

How should waste containing 1-{[(4R,7S,10S,13S,16S,19R)-19-Amino-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-L-lysylglycinamide (CAS: 50-57-7) be handled?

Waste containing this compound should be collected in appropriate containers and disposed of according to local regulations. For safe disposal, consider incineration or professional waste disposal services. Ensure proper containment and handling to prevent environmental contamination. Always consult with environmental health and safety experts for guidance on waste management and disposal procedures.