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TM30089

CAT: 0013-GTR19153666-03Size: 1 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19153666-03Size:1 g
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Description
TM30089 is a slective CRTH2 antagonist, displaying high antagonistic potency on mouse CRTH2 with low affinity to TP and many other prostanoid receptors including the related anaphylatoxin C3a and C5a receptors.
CAS Number
844639-57-2
Purity
>98%
Smiles
O=C (O) CN1C2=C (C3=C1C=CC=C3) CC (N (S (=O) (C4=CC=C (F) C=C4) =O) C) CC2
Molecular Formula
C21H20FN2O4S∙Na
Molecular Weight
438.45
Notes
For research use only.

Chemical Information

Cay-10471

a prostaglandin D2 receptor antagonist; structure in first source

CAS Number844639-57-2
PubChem CID11384493
IUPAC Name2-[3-[(4-fluorophenyl)sulfonyl-methylamino]-1,2,3,4-tetrahydrocarbazol-9-yl]acetic acid
Molecular FormulaC21H21FN2O4S
Molecular Weight416.5
XLogP3.4
Topological Polar Surface Area88
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count29
Formal Charge0
Complexity704
SMILES
CN(C1CCC2=C(C1)C3=CC=CC=C3N2CC(=O)O)S(=O)(=O)C4=CC=C(C=C4)F
InChI
InChI=1S/C21H21FN2O4S/c1-23(29(27,28)16-9-6-14(22)7-10-16)15-8-11-20-18(12-15)17-4-2-3-5-19(17)24(20)13-21(25)26/h2-7,9-10,15H,8,11-13H2,1H3,(H,25,26)
InChIKey
CANCTKXGRVNXFP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Cay-10471
CAS: 844639-57-2
CID: 11384493
Formula: C21H21FN2O4S
MW: 416.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight416.5
XLogP33.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass416.12060649
Monoisotopic Mass416.12060649
Topological Polar Surface Area88 Ų
Heavy Atom Count29
Formal Charge0
Complexity704
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

Alternative Products

CatalogName
MBS130186-01TM30089 (CAY10471)

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