ChemicalBook > CAS DataBase List > A-1331852

A-1331852

Product Name: A-1331852
CAS No.: 1430844-80-6
Chemical Name: A-1331852
Synonyms: CS-2498;A-1331852;A 1331852;A1331852;A-1331852, 10 mM in DMSO;A-1331852,Inhibitor,inhibit,A1331852,Bcl-2 Family,A 1331852;6-(8-(benzo[d]thiazol-2-ylcarbamoyl)-3,4-dihydroisoquinolin-2(1H)-yl)-3-(1-(adamantylmethyl)-5-methyl-1H-pyrazol-4-yl)picolinic acid;3-(1-(Adamantan-1-ylmethyl)-5-methyl-1H-pyrazol-4-yl)-6-(8-(benzo[d]thiazol-2-ylcarbamoyl)-3,4-dihydroisoquinolin-2(1H)-yl)picolinic acid;6-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydroisoquinolin-2(1H)-yl]-3-[5-methyl-1-(tricyclo[3.3.1.13,7]dec-1-ylmethyl)-1H-pyrazol-4-yl]pyridine-2-carboxylic acid;2-Pyridinecarboxylic acid, 6-[8-[(2-benzothiazolylamino)carbonyl]-3,4-dihydro-2(1H)-isoquinolinyl]-3-[5-methyl-1-(tricyclo[3.3.1.13,7]dec-1-ylmethyl)-1H-pyrazol-4-yl]-
CBNumber: CB83070794
Molecular Formula: C38H38N6O3S
Formula Weight: 658.81
MOL File: 1430844-80-6.mol

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A-1331852 Property

Melting point:: >161oC (dec.)
Density: 1.50±0.1 g/cm3(Predicted)
storage temp.: -20°C Freezer
solubility: Acetonitrile (Slightly, Heated), DMSO (Slightly)
pka: 8.88±0.70(Predicted)
form: Solid
color: Pale Yellow to Light Beige
InChIKey: QCQQONWEDCOTBV-UHFFFAOYSA-N
SMILES: C1(C(O)=O)=NC(N2CCC3=C(C2)C(C(NC2=NC4=CC=CC=C4S2)=O)=CC=C3)=CC=C1C1=C(C)N(CC23CC4CC(CC(C4)C2)C3)N=C1

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Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Warning

Hazard statements

H302Harmful if swallowed

H315Causes skin irritation

H319Causes serious eye irritation

H335May cause respiratory irritation

Precautionary statements

P261Avoid breathing dust/fume/gas/mist/vapours/spray.

P264Wash hands thoroughly after handling.

P264Wash skin thouroughly after handling.

P270Do not eat, drink or smoke when using this product.

P271Use only outdoors or in a well-ventilated area.

P280Wear protective gloves/protective clothing/eye protection/face protection.

P301+P312IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.

P302+P352IF ON SKIN: wash with plenty of soap and water.

P304+P340IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

P330Rinse mouth.

P332+P313IF SKIN irritation occurs: Get medical advice/attention.

P337+P313IF eye irritation persists: Get medical advice/attention.

P362Take off contaminated clothing and wash before reuse.

P403+P233Store in a well-ventilated place. Keep container tightly closed.

P405Store locked up.

P501Dispose of contents/container to..…

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N-Bromosuccinimide Price

Cayman Chemical

Product number: 22963
Product name: A-1331852
Purity: ≥98%
Packaging: 1mg
Price: $97
Updated: 2024/03/01

Cayman Chemical

Product number: 22963
Product name: A-1331852
Purity: ≥98%
Packaging: 5mg
Price: $193
Updated: 2024/03/01

Cayman Chemical

Product number: 22963
Product name: A-1331852
Purity: ≥98%
Packaging: 10mg
Price: $337
Updated: 2024/03/01

TRC

Product number: A100900
Product name: A-1331852
Packaging: 25mg
Price: $275
Updated: 2021/12/16

ApexBio Technology

Product number: B6164
Product name: A-1331852
Packaging: 5mg
Price: $195
Updated: 2021/12/16

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A-1331852 Chemical Properties,Usage,Production

Description

A-1331852 is an orally bioavailable Bcl-xL inhibitor that selectively binds Bcl-xL over Bcl-2, Mcl-1, and Bcl-W (K_is = <0.01, 6, 142, and 4 nM, respectively). It inhibits growth of Bcl-xL-dependent MOLT-4, but not Bcl-2-dependent RS4;11, acute lymphocytic leukemia cells in vitro (EC₅₀s = 6 and >5,000 nM, respectively). A-1331852 (25 mg/kg twice per day) inhibits tumor growth in a MOLT-4 mouse xenograft model. It also inhibits tumor growth and increases the antitumor activity of docetaxel in MDA-MB-231 LC3 metastatic breast cancer and NCI-H1650 non-small cell lung cancer mouse xenograft models when administered at a dose of 25 mg/kg. A-1331852 also increases venetoclax inhibition of tumor growth in an NCI-H1963.FP5 small cell lung cancer mouse xenograft model.

Uses

A-1331852 is a substituted benzothiazole that can serve as an anti-apoptotic Bcl-xL protein inhibitor and apoptosis-inducing agent useful in the treatment of cancer, immune and autoimmune diseases.

in vitro

a-1331852 was identified as a potent bcl-xl inhibitor demonstrating cellular activity 10- to 50-fold more potent than its analog a-1155463 and the previouly reported bcl-xl inhibitor, navitoclax, respectively. moreover, a-1331852 could selectively disrupt bcl-xl–bim complexes and induce the apoptosis hallmarks in bcl-xl–dependent molt-4 cells with median ic50 values in the low nanomolar range but did not affect mef cells without bak or bax [1].

in vivo

previous animal study found that a-1331852 could demonstrate antitumor efficacy in the molt-4 xenograft model, such as tumor regressions as a single agent. in addition, in the nci-h1963.fp5 xenograft model of sclc, it was found that a-1331852 combined with venetoclax was able to recapitulate the efficacy of navitoclax [1].

IC 50

Bcl-xL: 0.01 nM (Ki); Bcl-W: 4 nM (Ki); Bcl-2: 6 nM (Ki); Mcl-1: 142 nM (Ki)

storage

Store at -20°C

References

[1] leverson jd et al. 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.

A-1331852 Preparation Products And Raw materials

Raw materials

Preparation Products

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1430844-80-6, A-1331852Related Search:

ascochlorin 5-METHYL-2-[(1R,6R)-3-METHYL-6-(1-METHYLETHENYL)-2-CYCLOHEXEN-1-YL]-1,3-BENZENEDIOL

A-1331852

6-(8-(benzo[d]thiazol-2-ylcarbamoyl)-3,4-dihydroisoquinolin-2(1H)-yl)-3-(1-(adamantylmethyl)-5-methyl-1H-pyrazol-4-yl)picolinic acid

CS-2498

A 1331852;A1331852

6-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydroisoquinolin-2(1H)-yl]-3-[5-methyl-1-(tricyclo[3.3.1.13,7]dec-1-ylmethyl)-1H-pyrazol-4-yl]pyridine-2-carboxylic acid

2-Pyridinecarboxylic acid, 6-[8-[(2-benzothiazolylamino)carbonyl]-3,4-dihydro-2(1H)-isoquinolinyl]-3-[5-methyl-1-(tricyclo[3.3.1.13,7]dec-1-ylmethyl)-1H-pyrazol-4-yl]-

3-(1-(Adamantan-1-ylmethyl)-5-methyl-1H-pyrazol-4-yl)-6-(8-(benzo[d]thiazol-2-ylcarbamoyl)-3,4-dihydroisoquinolin-2(1H)-yl)picolinic acid

A-1331852,Inhibitor,inhibit,A1331852,Bcl-2 Family,A 1331852

A-1331852, 10 mM in DMSO

1430844-80-6

C38H38N6O3S

A-1331852