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B414460-5mg

5mg

Available within 8-12 weeks(?)

$325.90

Basic Description

Synonyms	BDBM296947 \| s9691 \| X8BW0MQ5PI \| BMS986158 \| BMS-986158 \| AXC34040 \| Bet inhibitor BMS-986158 \| (S)-2-(3-(1,4-dimethyl-1H-1,2,3-triazol-5-yl)-5-(phenyl(tetrahydro-2H-pyran-4-yl)methyl)-5H-pyrido[3,2-b]indol-7-yl)propan-2-ol \| AC-36650 \| US10112941, Examp
Specifications & Purity	Moligand™, ≥99%
Biochemical and Physiological Mechanisms	BMS-986158 is a potent inhibitor of BET with IC50s of 6.6\u2009nM and 5\u2009nM in NCI-H211 small cell lung cancer (SCLC) cells and MDA-MB231 triple negative breast cancer (TNBC) cells, respectively.
Storage Temp	Store at -20°C
Shipped In	Ice chest + Ice pads
Grade	Moligand™
Action Type	INHIBITOR
Mechanism of action	Bromodomain and extra-terminal motif (BET) inhibitor
Product Description	Information BMS-986158 BMS-986158 is a potent inhibitor of BET with IC50s of 6.6 nM and 5 nM in NCI-H211 small cell lung cancer (SCLC) cells and MDA-MB231 triple negative breast cancer (TNBC) cells, respectively.

Product Properties

ALogP	4.1

Associated Targets(Human)

BRD4 Tchem Bromodomain-containing protein 4 (0 Activities)

Discover Target: BRD4

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

KCNH2 Tclin HERG (29587 Activities)

Discover Target: KCNH2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)

Discover Target: CYP2D6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)

Discover Target: CYP1A2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CYP2C19 Tchem Cytochrome P450 2C19 (29246 Activities)

Discover Target: CYP2C19

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

Discover Target: CYP3A4

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

SK-LU-1 (435 Activities)

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SK-MES-1 (413 Activities)

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A549 (127892 Activities)

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NCI-H520 (551 Activities)

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NCI-H23 (49055 Activities)

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NCI-H647 (36 Activities)

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DMS-114 (15429 Activities)

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EP300 Tchem Histone acetyltransferase p300 (1259 Activities)

Discover Target: EP300

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CREBBP Tchem CREB-binding protein (1602 Activities)

Discover Target: CREBBP

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

DMS-53 (76 Activities)

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NCI-H1048 (75 Activities)

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NCI-H1623 (113 Activities)

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NCI-H1703 (410 Activities)

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NCI-H1792 (313 Activities)

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NCI-H1793 (114 Activities)

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NCI-H2009 (119 Activities)

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NCI-H2030 (117 Activities)

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NCI-H2170 (227 Activities)

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NCI-H2228 (1030 Activities)

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NCI-H441 (233 Activities)

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SW900 (186 Activities)

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BRD4 Tchem Bromodomain-containing protein 4 (13122 Activities)

Discover Target: BRD4

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

MYC Tchem Myc proto-oncogene protein (1178 Activities)

Discover Target: MYC

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

BRD2 Tchem Bromodomain-containing protein 2 (1296 Activities)

Discover Target: BRD2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

BRD3 Tchem Bromodomain-containing protein 3 (1086 Activities)

Discover Target: BRD3

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

NCI-H1355 (159 Activities)

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MOLM-13 (2241 Activities)

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HCC44 (31 Activities)

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HCC95 (53 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

OCI-AML-3 (139 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

NCI-H146 (92 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

NCI-H211 (20 Activities)

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Names and Identifiers

IUPAC Name	2-[3-(3,5-dimethyltriazol-4-yl)-5-[(S)-oxan-4-yl(phenyl)methyl]pyrido[3,2-b]indol-7-yl]propan-2-ol
INCHI	InChI=1S/C30H33N5O2/c1-19-28(34(4)33-32-19)22-16-26-27(31-18-22)24-11-10-23(30(2,3)36)17-25(24)35(26)29(20-8-6-5-7-9-20)21-12-14-37-15-13-21/h5-11,16-18,21,29,36H,12-15H2,1-4H3/t29-/m1/s1
InChi Key	KGERZPVQIRYWRK-GDLZYMKVSA-N
Canonical SMILES	CC1=C(N(N=N1)C)C2=CC3=C(C4=C(N3C(C5CCOCC5)C6=CC=CC=C6)C=C(C=C4)C(C)(C)O)N=C2
Isomeric SMILES	CC1=C(N(N=N1)C)C2=CC3=C(C4=C(N3[C@@H](C5CCOCC5)C6=CC=CC=C6)C=C(C=C4)C(C)(C)O)N=C2
PubChem CID	118196485
Molecular Weight	495.62

Database links

PubChem CID	118196485
CAS Registry No.	1800340-40-2
ChEMBL Ligand	CHEMBL4297458
DrugBank Ligand	DB15435
RCSB PDB Ligand	YWA

Certificates

Certificate of Analysis(COA)

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Chemical and Physical Properties

Solubility	Solubility (25°C) In vitro DMSO: 25 mg/mL (50.44 mM); Ethanol: 3 mg/mL (6.05 mM); Water: Insoluble;

References

1. Shimamura T, Chen Z, Soucheray M, Carretero J, Kikuchi E, Tchaicha JH, Gao Y, Cheng KA, Cohoon TJ, Qi J et al.. (2013) Efficacy of BET bromodomain inhibition in Kras-mutant non-small cell lung cancer.. Clin Cancer Res, 19 (22): (6183-92). [PMID:24045185]
2. Fong CY, Gilan O, Lam EY, Rubin AF, Ftouni S, Tyler D, Stanley K, Sinha D, Yeh P, Morison J et al.. (2015) BET inhibitor resistance emerges from leukaemia stem cells.. Nature, 525 (7570): (538-42). [PMID:26367796]
3. Gavai AV, Norris D, Delucca G, Tortolani D, Tokarski JS, Dodd D, O'Malley D, Zhao Y, Quesnelle C, Gill P et al.. (2021) Discovery and Preclinical Pharmacology of an Oral Bromodomain and Extra-Terminal (BET) Inhibitor Using Scaffold-Hopping and Structure-Guided Drug Design.. J Med Chem, 64 (19): (14247-14265). [PMID:34543572]

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BMS-986158 - 99%, high purity , Bromodomain and extra-terminal motif (BET) inhibitor, CAS No.1800340-40-2, Bromodomain and extra-terminal motif (BET) inhibitor

Basic Description

Product Properties

Associated Targets(Human)

Names and Identifiers

Database links

Certificates

Certificate of Analysis(COA)

Chemical and Physical Properties

Related Documents

References

Solution Calculators

Molarity Calculator

Dilution Calculator

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