Efegatran free base

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MedKoo CAT#: 526605

CAS#: 105806-65-3 (free base)

Description: Efegatran, also known as GYKI-14166, RGH-2958 and LY294468, a thrombin inhibitor which is being developed by IVAX for the potential treatment of thromboembolic disorders.

Chemical Structure

Efegatran free base
CAS# 105806-65-3 (free base)

Theoretical Analysis

MedKoo Cat#: 526605
Name: Efegatran free base
CAS#: 105806-65-3 (free base)
Chemical Formula: C20H30N6O3
Exact Mass: 402.2379
Molecular Weight: 402.499
Elemental Analysis: C, 59.68; H, 7.51; N, 20.88; O, 11.92

Price and Availability

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Related CAS #: 105806-65-3 (free base)   173006-83-2 (2HCl)   126721-07-1 (sulfate)    

Synonym: GYKI-14166; GYKI14166; GYKI 14166; RGH-2958; RGH 2958; RGH2958; LY 294468; LY-294468; LY294468; Efegatran

IUPAC/Chemical Name: (S)-1-(D-phenylalanyl)-N-((S)-5-guanidino-1-oxopentan-2-yl)pyrrolidine-2-carboxamide

InChi Key: InChI=1S/C20H30N6O3/c21-16(12-14-6-2-1-3-7-14)19(29)26-11-5-9-17(26)18(28)25-15(13-27)8-4-10-24-20(22)23/h1-3,6-7,13,15-17H,4-5,8-12,21H2,(H,25,28)(H4,22,23,24)/t15-,16+,17-/m0/s1

InChi Code: InChI=1S/C20H30N6O3/c21-16(12-14-6-2-1-3-7-14)19(29)26-11-5-9-17(26)18(28)25-15(13-27)8-4-10-24-20(22)23/h1-3,6-7,13,15-17H,4-5,8-12,21H2,(H,25,28)(H4,22,23,24)/t15-,16+,17-/m0/s1

SMILES Code: O=C([C@H]1N(C([C@@H](CC2=CC=CC=C2)N)=O)CCC1)N[C@@H](CCCNC(N)=N)C=O

Appearance: Solid powder

Purity: >98% (or refer to the Certificate of Analysis)

Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility: Soluble in DMSO, not in water

Shelf Life: >2 years if stored properly

Drug Formulation: This drug may be formulated in DMSO

Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code: 2934.99.9001

Preparing Stock Solutions

The following data is based on the product molecular weight 402.499 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL

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Additional Information

CAS# related to GYKI-14166
83997-16-4 (GYKI-14166 suflate)
77481-39-1 (GYKI-14166 diacetate),
77481-38-0 (GYKI-14166 diHCl),
60503-05-1 (GYKI-14166 free base)