A-1331852
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MedKoo CAT#: 406841

CAS#: 1430844-80-6

Description: A-1331852 is a potent and BCL-XL-selective inhibitor. BCL-XL is the major antiapoptotic survival protein and may be a novel therapeutic target in CML. BCL-XL-selective inhibitors have the potential to enhance the efficacy of docetaxel in solid tumors and avoid the exacerbation of neutropenia observed with navitoclax. A-1331852 may have potential as improved cancer therapeutics.


Price and Availability

Size
Price

100mg
USD 1150
1g
USD 4850
Size
Price

200mg
USD 1950
2g
Ask price
Size
Price

500mg
USD 3650

A-1331852, purity > 98%, is in stock. Current shipping out time is about 2 weeks after order is received. CoA, QC data and MSDS documents are available in one week after order is received.


Chemical Structure

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Theoretical Analysis

MedKoo Cat#: 406841
Name: A-1331852
CAS#: 1430844-80-6
Chemical Formula: C38H38N6O3S
Exact Mass: 658.2726
Molecular Weight: 658.821
Elemental Analysis: C, 69.28; H, 5.81; N, 12.76; O, 7.29; S, 4.87


Synonym: A-1331852; A 1331852; A1331852.

IUPAC/Chemical Name: 3-(1-(((3r,5r,7r)-adamantan-1-yl)methyl)-5-methyl-1H-pyrazol-4-yl)-6-(8-(benzo[d]thiazol-2-ylcarbamoyl)-3,4-dihydroisoquinolin-2(1H)-yl)picolinic acid

InChi Key: QCQQONWEDCOTBV-UHFFFAOYSA-N

InChi Code: InChI=1S/C38H38N6O3S/c1-22-29(19-39-44(22)21-38-16-23-13-24(17-38)15-25(14-23)18-38)27-9-10-33(41-34(27)36(46)47)43-12-11-26-5-4-6-28(30(26)20-43)35(45)42-37-40-31-7-2-3-8-32(31)48-37/h2-10,19,23-25H,11-18,20-21H2,1H3,(H,46,47)(H,40,42,45)

SMILES Code: CC1=C(C=NN1CC23CC4CC(C2)CC(C4)C3)C5=C(N=C(C=C5)N6CCC7=CC=CC(=C7C6)C(=O)NC8=NC9=CC=CC=C9S8)C(=O)O


Technical Data

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:
>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).

Harmonized System Code:
293490


References

1: Leverson JD. Chemical parsing: Dissecting cell dependencies with a toolkit of selective BCL-2 family inhibitors. Mol Cell Oncol. 2015 May 26;3(1):e1050155. doi: 10.1080/23723556.2015.1050155. eCollection 2016 Jan. PubMed PMID: 27308564; PubMed Central PMCID: PMC4845185.

2: Lucas CM, Milani M, Butterworth M, Carmell N, Scott LJ, Clark RE, Cohen GM, Varadarajan S. High CIP2A levels correlate with an antiapoptotic phenotype that can be overcome by targeting BCL-XL in chronic myeloid leukemia. Leukemia. 2016 Jun;30(6):1273-81. doi: 10.1038/leu.2016.42. Epub 2016 Feb 29. PubMed PMID: 26987906; PubMed Central PMCID: PMC4895185.

3: Butterworth M, Pettitt A, Varadarajan S, Cohen GM. BH3 profiling and a toolkit of BH3-mimetic drugs predict anti-apoptotic dependence of cancer cells. Br J Cancer. 2016 Mar 15;114(6):638-41. doi: 10.1038/bjc.2016.49. Epub 2016 Mar 8. PubMed PMID: 26954718; PubMed Central PMCID: PMC4800304.

4: Punnoose EA, Leverson JD, Peale F, Boghaert ER, Belmont LD, Tan N, Young A, Mitten M, Ingalla E, Darbonne WC, Oleksijew A, Tapang P, Yue P, Oeh J, Lee L, Maiga S, Fairbrother WJ, Amiot M, Souers AJ, Sampath D. Expression Profile of BCL-2, BCL-XL, and MCL-1 Predicts Pharmacological Response to the BCL-2 Selective Antagonist Venetoclax in Multiple Myeloma Models. Mol Cancer Ther. 2016 May;15(5):1132-44. doi: 10.1158/1535-7163.MCT-15-0730. Epub 2016 Mar 3. PubMed PMID: 26939706.

5: 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.