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[(3R,11S,17S,20S,25aS)-11-(4-Carbamimidamidobutyl)-3-carbamoyl-20-(1H-indol-3-ylmethyl)-1,9,12,15,18,21-hexaoxodocosahydro-7H-pyrrolo[2,1-g][1,2,5,8,11,14,17,20]dithiahexaazacyclotricosin-17-yl]acetic acid | CAS No. 188627-80-7

[(3R,11S,17S,20S,25aS)-11-(4-Carbamimidamidobutyl)-3-carbamoyl-20-(1H-indol-3-ylmethyl)-1,9,12,15,18,21-hexaoxodocosahydro-7H-pyrrolo[2,1-g][1,2,5,8,11,14,17,20]dithiahexaazacyclotricosin-17-yl]acetic acid

Basic Information

Chemical_Structure_Of
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CAS Number

188627-80-7

Molecular Formula

C35H49N11O9S2

Molecular Weight

831.98 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

Boiling Point

°Cat760mmHg

Density

1.6

Refractive Index

1.735

SMILES

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C1CC2C(=O)NC(CSSCCC(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)N2C1)CC3=CNC4=CC=CC=C43)CC(=O)O)CCCCN=C(N)N)C(=O)N

InChI

InChI=1S/C35H49N11O9S2/c36-30(51)25-18-57-56-13-10-27(47)42-22(8-3-4-11-39-35(37)38)31(52)41-17-28(48)43-23(15-29(49)50)32(53)44-24(14-19-16-40-21-7-2-1-6-20(19)21)34(55)46-12-5-9-26(46)33(54)45-25/h1-2,6-7,16,22-26,40H,3-5,8-15,17-18H2,(H2,36,51)(H,41,52)(H,42,47)(H,43,48)(H,44,53)(H,45,54)(H,49,50)(H4,37,38,39)/t22-,23-,24-,25-,26-/m0/s1

InChIKey

CZKPOZZJODAYPZ-LROMGURASA-N

LogP

-1.8447299999999913

Topological Polar Surface Area

323.88999999999993 Ų

Hydrogen Bond Donor/Acceptor

13 / 20

Complexity

1520

Safety Information

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Hazard Statement

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

  • Mpr-Har-Gly-Asp-Trp-Pro-Cys-NH2
  • EPTIFIBATIDE [USAN]
  • NCGC00263524-01
  • C68-22
  • 157630-07-4
  • L-Cysteinamide, N6-(aminoiminomethyl)-N2-(3-mercapto-1-oxopropyl)-L-lysylglycyl-L-alpha-aspartyl-L-tryptophyl-L-prolyl-, cyclic (1-->6)-disulfide
  • N(SUP 6)-AMIDINO-N(SUP 2)-(3-MERCAPTOPROPIONYL)-L-LYSYLGLYCYL-L-ALPHA-ASPARTYL-L-TRYPTOPHYL-L-PROLYL-L-CYSTEINAMIDE, CYCLIC(1-6)-DISULPHIDE
  • CHEMBL1174
  • NA8320J834
  • EPTIFIBATIDE [MART.]
  • EPTIFIBATIDE [WHO-DD]
  • EPTIFIBATIDE [EMA EPAR]
  • Tox21_112503
  • CAS-188627-80-7
  • epifibatide
  • Eptifibatide Acetate
  • BDBM50092098
  • Eptifibatide Accord (generic)
  • EPTIFIBATIDE [MI]
  • HY-B0686
  • GTPL6585
  • 2-[(3S,6S,12S,20R,23S)-20-carbamoyl-12-[4-(diaminomethylideneamino)butyl]-3-(1H-indol-3-ylmethyl)-2,5,8,11,14,22-hexaoxo-17,18-dithia-1,4,7,10,13,21-hexazabicyclo[21.3.0]hexacosan-6-yl]acetic acid
  • EPTIFIBATIDE (MART.)
  • A-methyl-benzyl)-imidazole-5-carboxylate
  • Intrifiban
  • Integrelin
  • 2-((3R,11S,17S,20S,25aS)-20-((1H-indol-3-yl)methyl)-3-carbamoyl-11-(4-guanidinobutyl)-1,9,12,15,18,21-hexaoxodocosahydro-1H-pyrrolo[2,1-g][1,2,5,8,11,14,17,20]dithiahexaazacyclotricosin-17-yl)acetic acid
  • L-Cysteinamide, N6-(aminoiminomethyl)-N2-(3-mercapto-1-oxopropyl)-L-lysylglycyl-L-alpha-aspartyl-L-tryptophy-L-prolyl-, cyclic(1-6)-disulfide
  • [22-Carbamoyl-14-(4-guanidino-butyl)-5-(1H-indol-3-ylmethyl)-4,7,10,13,16,24-hexaoxo-docosahydro-19,20-dithia-3a,6,9,12,15,23-hexaaza-cyclopentacyclotricosen-8-yl]-acetic acid (C68-22, eptifibatide)
  • L-Cysteinamide,N6-(aminoiminomethyl)-N2-(3-mercapto-1-oxopropyl)-L-lysylglycyl-L-
  • N(6)-amidino-N(2)-(3-mercaptopropionyl)-L-lysylglycyl-L-alpha-aspartyl-L-tryptophyl-L-prolyl-L-cysteinamide, cyclic(1-6)-disulfide

MDL Number

MFCD05662245

FAQ

What is (3R,11S,17S,20S,25aS)-11-(4-Carbamimidamidobutyl)-3-carbamoyl-20-(1H-indol-3-ylmethyl)-1,9,12,15,18,21-hexaoxodocosahydro-7H-pyrrolo[2,1-g][1,2,5,8,11,14,17,20]dithiahexaazacyclotricosin-17-yl]acetic acid (CAS: 188627-80-7)?
This compound is a complex organic molecule belonging to the class of heterocyclic compounds. It contains multiple functional groups such as carbamoyl, carbamimidamido, and indole. The chemical formula and structure are quite elaborate, reflecting its potential use in pharmaceuticals and research applications.

What are the main uses of (3R,11S,17S,20S,25aS)-11-(4-Carbamimidamidobutyl)-3-carbamoyl-20-(1H-indol-3-ylmethyl)-1,9,12,15,18,21-hexaoxodocosahydro-7H-pyrrolo[2,1-g][1,2,5,8,11,14,17,20]dithiahexaazacyclotricosin-17-yl]acetic acid (CAS: 188627-80-7)?
This compound is primarily used in the pharmaceutical industry for research purposes, including drug development and as a potential therapeutic agent. It may also have applications in academic research for studying molecular interactions and biological processes.

Is (3R,11S,17S,20S,25aS)-11-(4-Carbamimidamidobutyl)-3-carbamoyl-20-(1H-indol-3-ylmethyl)-1,9,12,15,18,21-hexaoxodocosahydro-7H-pyrrolo[2,1-g][1,2,5,8,11,14,17,20]dithiahexaazacyclotricosin-17-yl]acetic acid (CAS: 188627-80-7) safe?
The safety of this compound is subject to thorough toxicity testing. It is important to follow safety guidelines and use appropriate personal protective equipment when handling. Specific safety data sheets (SDS) and regulatory compliance should be consulted for detailed safety information.

How should (3R,11S,17S,20S,25aS)-11-(4-Carbamimidamidobutyl)-3-carbamoyl-20-(1H-indol-3-ylmethyl)-1,9,12,15,18,21-hexaoxodocosahydro-7H-pyrrolo[2,1-g][1,2,5,8,11,14,17,20]dithiahexaazacyclotricosin-17-yl]acetic acid (CAS: 188627-80-7) be stored?
Store this compound in a cool, dry place, away from direct sunlight. Maintain at room temperature (15-25°C), and keep it in a tightly sealed container to prevent degradation. Ensure good ventilation in the storage area to minimize the risk of exposure and inhalation. Avoid contact with water and oxidizing agents.

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[(3R,11S,17S,20S,25aS)-11-(4-Carbamimidamidobutyl)-3-carbamoyl-20-(1H-indol-3-ylmethyl)-1,9,12,15,18,21-hexaoxodocosahydro-7H-pyrrolo[2,1-g][1,2,5,8,11,14,17,20]dithiahexaazacyclotricosin-17-yl]acetic acid — ShangHaiJiZhiShengHua Technology Co Ltd

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[(3R,11S,17S,20S,25aS)-11-(4-Carbamimidamidobutyl)-3-carbamoyl-20-(1H-indol-3-ylmethyl)-1,9,12,15,18,21-hexaoxodocosahydro-7H-pyrrolo[2,1-g][1,2,5,8,11,14,17,20]dithiahexaazacyclotricosin-17-yl]acetic acid — Shanghai Jixiang Biotechnology Co., Ltd.

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[(3R,11S,17S,20S,25aS)-11-(4-Carbamimidamidobutyl)-3-carbamoyl-20-(1H-indol-3-ylmethyl)-1,9,12,15,18,21-hexaoxodocosahydro-7H-pyrrolo[2,1-g][1,2,5,8,11,14,17,20]dithiahexaazacyclotricosin-17-yl]acetic acid — Chengdu Sinopharm Biological Pharmaceutical Co., Ltd.

Chengdu Sinopharm Biological Pharmaceutical Co., Ltd.

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[(3R,11S,17S,20S,25aS)-11-(4-Carbamimidamidobutyl)-3-carbamoyl-20-(1H-indol-3-ylmethyl)-1,9,12,15,18,21-hexaoxodocosahydro-7H-pyrrolo[2,1-g][1,2,5,8,11,14,17,20]dithiahexaazacyclotricosin-17-yl]acetic acid — Shanghai Yuyeh Biotechnology Co., Ltd.

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