Products for Research Use Only
RegisterLogin

OTX-015

CAT: 0607-A3692-50Size: 50 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0607-A3692-50Size:50 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
BRD inhibitor
CAS Number
202590-98-5
Sequence
OTX 015;OTX015
Field of Research
Chromatin Epigenetics Bromodomain
Purity
0.9957
Solubility
≥24.6 mg/mL in DMSO; insoluble in H2O; ≥106 mg/mL in EtOH with gentle warming
Smiles
CC1=C(SC2=C1C(=NC(C3=NN=C(N32)C)CC(=O)NC4=CC=C(C=C4)O)C5=CC=C(C=C5)Cl)C
Molecular Formula
C25H22ClN5O2S
Molecular Weight
491.99
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

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

Related Products

CatalogName
B3575-1PFK-015
B3575-100PFK-015
B3575-5PFK-015
B3575-50PFK-015
B3575-10PFK-015
B5094-5JWH 015
B3575-5.1PFK-015
B5094-1JWH 015
A8890-5.1HTH-01-015
A8890-10HTH-01-015

Alternative Products

CatalogName
27636-2OTX-015
FO145492-01OTX 015
6181/10OTX 015 10 mg
6181/50OTX 015 50 mg
RM-O241500-01Otx 008
GTR19277693-01OTX-2002
MBS1468198-01Recombinant Strongylocentrotus purpuratus Homeobox protein OTX (OTX)
MBS3601950-01HUHS-015
TRC-J211350-1MGJWH-015
406616PFK-015

Popular Products