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BMS 753

CAT: 0607-B5438-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0607-B5438-5Size:5 mg
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Description
RARα-selective agonist
CAS Number
215307-86-1
Product Name Alternative
4-(1,1,3,3-tetramethyl-2-oxo-2,3-dihydro-1H-indene-5-carboxamido)benzoic acid
Field of Research
Others RARs
Purity
0.98
Form
Off-white solid
Solubility
<35.14mg/ml in ethanol; <35.14mg/ml in DMSO
Smiles
CC(C1=C(C(C)2C)C=C(C(NC3=CC=C(C(O)=O)C=C3)=O)C=C1)(C2=O)C
Molecular Formula
C21H21NO4
Molecular Weight
351.4
Shipping Conditions
Blue ice
Storage Conditions
Store at RT.

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...
View on PubChemRaw 3D data
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

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