A 410099.1 HCl
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MedKoo CAT#: 584794

CAS#: 762274-58-8 (HCl)

Description: A 410099.1 is a high affinity XIAP antagonist that is active in vivo.


Chemical Structure

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A 410099.1 HCl
CAS# 762274-58-8 (HCl)

Theoretical Analysis

MedKoo Cat#: 584794
Name: A 410099.1 HCl
CAS#: 762274-58-8 (HCl)
Chemical Formula: C27H41ClN4O3
Exact Mass: 504.2867
Molecular Weight: 505.1
Elemental Analysis: C, 64.20; H, 8.18; Cl, 7.02; N, 11.09; O, 9.50

Price and Availability

Size Price Availability Quantity
10.0mg USD 315.0 2 Weeks
50.0mg USD 850.0 2 Weeks
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Related CAS #: 847137-52-4 (free base)   762274-58-8 (HCl)    

Synonym: A 410099.1; A 410099.1; A410099.1; A4100991

IUPAC/Chemical Name: N-Methyl-L-alanyl-(2S)-2-cyclohexylglycyl-N-[(1R)-1,2,3,4-tetrahydro-1-naphthalenyl]-L-prolinamide hydrochloride

InChi Key: OPCYOBWCDDJCFT-VOSOYEAFSA-N

InChi Code: InChI=1S/C27H40N4O3.ClH/c1-18(28-2)25(32)30-24(20-11-4-3-5-12-20)27(34)31-17-9-16-23(31)26(33)29-22-15-8-13-19-10-6-7-14-21(19)22;/h6-7,10,14,18,20,22-24,28H,3-5,8-9,11-13,15-17H2,1-2H3,(H,29,33)(H,30,32);1H/t18-,22+,23-,24-;/m0./s1

SMILES Code: O=C(N[C@@H]1CCCC2=C1C=CC=C2)[C@H]3N(C([C@H](C4CCCCC4)NC([C@H](C)NC)=O)=O)CCC3.[H]Cl

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

Shelf Life: >3 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

Certificate of Analysis:

Safety Data Sheet (SDS):

Preparing Stock Solutions

The following data is based on the product molecular weight 505.1 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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Oost et al (2004) Discovery of potent antagonists of the antiapoptotic protein XIAP for the treatment of cancer. J.Med.Chem. 47 4417 PMID: 15317454

Loeder et al (2009) A novel paradigm to trigger apoptosis in chronic lymphocytic leukemia. Cancer Res. 69 8977 PMID: 19920200