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BMS 753

CAT: 0931-T22049-05Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T22049-05Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
215307-86-1
Target
Retinoid Receptor
Related Pathways
Metabolism
Purity
0.9855
Bioactivity
BMS 753 is an agonist of isotype-selective retinoic acid receptor α (RARα, Ki= 2 nM) .
Smiles
CC1(C)C(=O)C(C)(C)c2cc(ccc12)C(=O)Nc1ccc(cc1)C(O)=O
Molecular Formula
C21H21NO4
Molecular Weight
351.4
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Bms753

BMS 753 is an isotype-selective retinoic acid receptor alpha (RARalpha) agonist.

CAS Number215307-86-1
PubChem CID9884820
IUPAC Name4-[(1,1,3,3-tetramethyl-2-oxoindene-5-carbonyl)amino]benzoic acid
Molecular FormulaC21H21NO4
Molecular Weight351.4
XLogP3.5
Topological Polar Surface Area83.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count26
Formal Charge0
Complexity601
SMILES
CC1(C2=C(C=C(C=C2)C(=O)NC3=CC=C(C=C3)C(=O)O)C(C1=O)(C)C)C
InChI
InChI=1S/C21H21NO4/c1-20(2)15-10-7-13(11-16(15)21(3,4)19(20)26)17(23)22-14-8-5-12(6-9-14)18(24)25/h5-11H,1-4H3,(H,22,23)(H,24,25)
InChIKey
KFBPBWUZXBYJDG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bms753
CAS: 215307-86-1
CID: 9884820
Formula: C21H21NO4
MW: 351.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight351.4
XLogP33.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass351.14705815
Monoisotopic Mass351.14705815
Topological Polar Surface Area83.5 Ų
Heavy Atom Count26
Formal Charge0
Complexity601
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes