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OTX015

CAT: 0013-GTR19162856-07Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19162856-07Size:100 mg
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Description
OTX015 is a potent BET bromodomain inhibitor with EC50 ranging from 10 to 19 nM for BRD2, BRD3, and BRD4. Phase 1. (In Vitro) :Birabresib (OTX-015) (500 nM) exposure induces a strong decrease of BRD2, BRD4 and c-MYC and increase of HEXIM1 proteins, while BRD3 expression is unchanged. c-MYC, BRD2, BRD3, BRD4 and HEXIM1 mRNA levels do correlate however with viability following exposure to Birabresib (OTX-015) . Birabresib (OTX-015) (0.1, 1, 5 μM) treatment induces HIV-1 full-length transcripts and viral outgrowth in resting CD4+ T cells from infected individuals receiving suppressive antiretroviral therapy (ART), while exerting minimal toxicity and effects on T cell activation. Birabresib-mediated activation of HIV-1 involves an increase in CDK9 occupancy and RNAP II C-terminal domain (CTD) phosphorylation. (In Vivo) :In MDA-MB-231 murine xenografts, tumor mass is significantly (p < 0.05) reduced by Birabresib (OTX-015) (50 mg/kg) with respect to vehicle-treated animals. Birabresib (OTX-015) in combination with 2 mg/kg RAD001 shows more effective activity than Birabresib alone.
CAS Number
202590-98-5
Product Name Alternative
HY-15743 | (?) -OTX015
Purity
>98% (HPLC)
Solubility
DMSO:98 mg/mL (199.19 mM) ; Ethanol:98 mg/mL (199.19 mM) ; Water:<1 mg/mL (<1 mM)
Smiles
O=C (NC1=CC=C (O) C=C1) C[C@H]2C3=NN=C (C) N3C4=C (C (C) =C (C) S4) C (C5=CC=C (Cl) C=C5) =N2
Molecular Formula
C25H22ClN5O2S
Molecular Weight
491.99
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.
Other Product Names
(S) -2- (4- (4-chlorophenyl) -2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl) -N- (4-hydroxyphenyl) acetamide.

Chemical Information

(6S)-4-(4-Chlorophenyl)-N-(4-hydroxyphenyl)-2,3,9-trimethyl-6H-thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepine-6-acetamide

Birabresib (OTX-015) is a potent bromodomain (BRD2/3/4) inhibitor.

CAS Number202590-98-5
PubChem CID9936746
IUPAC Name2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]-N-(4-hydroxyphenyl)acetamide
Molecular FormulaC25H22ClN5O2S
Molecular Weight492.0
XLogP4.5
Topological Polar Surface Area121
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count34
Formal Charge0
Complexity770
SMILES
CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)NC4=CC=C(C=C4)O)C5=CC=C(C=C5)Cl)C
InChI
InChI=1S/C25H22ClN5O2S/c1-13-14(2)34-25-22(13)23(16-4-6-17(26)7-5-16)28-20(24-30-29-15(3)31(24)25)12-21(33)27-18-8-10-19(32)11-9-18/h4-11,20,32H,12H2,1-3H3,(H,27,33)/t20-/m0/s1
InChIKey
GNMUEVRJHCWKTO-FQEVSTJZSA-N
Chemical Structure
2D Structure
2D structure of (6S)-4-(4-Chlorophenyl)-N-(4-hydroxyphenyl)-2,3,9-trimethyl-6H-thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepine-6-acetamide
CAS: 202590-98-5
CID: 9936746
Formula: C25H22ClN5O2S
MW: 492.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight492.0
XLogP34.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass491.1182738
Monoisotopic Mass491.1182738
Topological Polar Surface Area121 Ų
Heavy Atom Count34
Formal Charge0
Complexity770
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
MBS385872-01OTX015
C17931Birabresib (OTX015)
A13890-500Birabresib (OTX015) 500mg
A13890-50Birabresib (OTX015) 50mg
A13890-2Birabresib (OTX015) 2mg
A13890-200Birabresib (OTX015) 200mg
A13890-100Birabresib (OTX015) 100mg
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