A-1155463
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MedKoo CAT#: 407213

CAS#: 1235034-55-5

Description: A-1155463 is a highly potent and selective BCL-XL inhibitor. A-1155463 is substantially more potent against BCL-XL-dependent cell lines relative to WEHI-539, while possessing none of its inherent pharmaceutical liabilities. A-1155463 caused a mechanism-based and reversible thrombocytopenia in mice and inhibited H146 small cell lung cancer xenograft tumor growth in vivo following multiple doses. A-1155463 thus represents an excellent tool molecule for studying BCL-XL biology as well as a productive lead structure for further optimization.


Chemical Structure

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A-1155463
CAS# 1235034-55-5

Theoretical Analysis

MedKoo Cat#: 407213
Name: A-1155463
CAS#: 1235034-55-5
Chemical Formula: C35H32FN5O4S2
Exact Mass: 669.18797
Molecular Weight: 669.7904
Elemental Analysis: C, 62.76; H, 4.82; F, 2.84; N, 10.46; O, 9.55; S, 9.57

Price and Availability

Size Price Availability Quantity
5.0mg USD 285.0 2 Weeks
25.0mg USD 730.0 2 Weeks
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Synonym: A-1155463; A 1155463; A1155463.

IUPAC/Chemical Name: 2-(8-(benzo[d]thiazol-2-ylcarbamoyl)-3,4-dihydroisoquinolin-2(1H)-yl)-5-(3-(4-(3-(dimethylamino)prop-1-yn-1-yl)-2-fluorophenoxy)propyl)thiazole-4-carboxylic acid

InChi Key: SOYCFODXNRVBTI-UHFFFAOYSA-N

InChi Code: InChI=1S/C35H32FN5O4S2/c1-40(2)17-6-8-22-14-15-28(26(36)20-22)45-19-7-13-30-31(33(43)44)38-35(47-30)41-18-16-23-9-5-10-24(25(23)21-41)32(42)39-34-37-27-11-3-4-12-29(27)46-34/h3-5,9-12,14-15,20H,7,13,16-19,21H2,1-2H3,(H,43,44)(H,37,39,42)

SMILES Code: O=C(C1=C(CCCOC2=CC=C(C#CCN(C)C)C=C2F)SC(N3CC4=C(C=CC=C4C(NC5=NC6=CC=CC=C6S5)=O)CC3)=N1)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

Certificate of Analysis:

Safety Data Sheet (SDS):

Preparing Stock Solutions

The following data is based on the product molecular weight 669.7904 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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1: Zhang H, Xue J, Hessler P, Tahir SK, Chen J, Jin S, Souers AJ, Leverson JD,
Lam LT. Genomic analysis and selective small molecule inhibition identifies
BCL-X(L) as a critical survival factor in a subset of colorectal cancer. Mol
Cancer. 2015 Jul 2;14:126. doi: 10.1186/s12943-015-0397-y. PubMed PMID: 26134786;
PubMed Central PMCID: PMC4487849.

2: Leverson JD, Phillips DC, Mitten MJ, Boghaert ER, Diaz D, Tahir SK, Belmont
LD, Nimmer P, Xiao Y, Ma XM, Lowes KN, Kovar P, Chen J, Jin S, Smith M, Xue J,
Zhang H, Oleksijew A, Magoc TJ, Vaidya KS, Albert DH, Tarrant JM, La N, Wang L,
Tao ZF, Wendt MD, Sampath D, Rosenberg SH, Tse C, Huang DC, Fairbrother WJ,
Elmore SW, Souers AJ. Exploiting selective BCL-2 family inhibitors to dissect
cell survival dependencies and define improved strategies for cancer therapy. Sci
Transl Med. 2015 Mar 18;7(279):279ra40. doi: 10.1126/scitranslmed.aaa4642. PubMed
PMID: 25787766.

3: Tao ZF, Hasvold L, Wang L, Wang X, Petros AM, Park CH, Boghaert ER, Catron ND,
Chen J, Colman PM, Czabotar PE, Deshayes K, Fairbrother WJ, Flygare JA, Hymowitz
SG, Jin S, Judge RA, Koehler MF, Kovar PJ, Lessene G, Mitten MJ, Ndubaku CO,
Nimmer P, Purkey HE, Oleksijew A, Phillips DC, Sleebs BE, Smith BJ, Smith ML,
Tahir SK, Watson KG, Xiao Y, Xue J, Zhang H, Zobel K, Rosenberg SH, Tse C,
Leverson JD, Elmore SW, Souers AJ. Discovery of a Potent and Selective BCL-XL
Inhibitor with in Vivo Activity. ACS Med Chem Lett. 2014 Aug 26;5(10):1088-93.
doi: 10.1021/ml5001867. eCollection 2014 Oct 9. PubMed PMID: 25313317; PubMed
Central PMCID: PMC4190639.