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(Rac) -CPI-203

CAT: 0804-HY-15846ASize: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-15846ASize:5 mg
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Description
(Rac) -CPI-203 is a racemate of CPI-203 (BET bromodomain inhibitor)
CAS Number
202591-23-9
UNSPSC
12352005
Target
Epigenetic Reader Domain
Type
Reference compound
Related Pathways
Epigenetics
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/rac-cpi-203.html
Solubility
10 mM in DMSO
Smiles
ClC1=CC=C(C2=NC(CC(N)=O)C3=NN=C(C)N3C4=C2C(C)=C(C)S4)C=C1
Molecular Formula
C19H18ClN5OS
Molecular Weight
399.90
References & Citations
[1]Moros A, et al. Synergistic antitumor activity of lenalidomide with the BET bromodomain inhibitor CPI203 in bortezomib-resistant mantle cell lymphoma. Leukemia. 2014 Oct;28 (10) :2049-59
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

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)acetamide
CAS Number202591-23-9
PubChem CID19704953
IUPAC Name2-[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]acetamide
Molecular FormulaC19H18ClN5OS
Molecular Weight399.9
XLogP2.9
Topological Polar Surface Area114
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count27
Formal Charge0
Complexity611
SMILES
CC1=C(SC2=C1C(=NC(C3=NN=C(N32)C)CC(=O)N)C4=CC=C(C=C4)Cl)C
InChI
InChI=1S/C19H18ClN5OS/c1-9-10(2)27-19-16(9)17(12-4-6-13(20)7-5-12)22-14(8-15(21)26)18-24-23-11(3)25(18)19/h4-7,14H,8H2,1-3H3,(H2,21,26)
InChIKey
QECMENZMDBOLDR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 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)acetamide
CAS: 202591-23-9
CID: 19704953
Formula: C19H18ClN5OS
MW: 399.9
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight399.9
XLogP32.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass399.0920591
Monoisotopic Mass399.0920591
Topological Polar Surface Area114 Ų
Heavy Atom Count27
Formal Charge0
Complexity611
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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