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AM-461

CAT: 0013-GTR19208139-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19208139-01Size:25 mg
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Description
AM-461 is a selective antagonist of the DP2 (CRTH2) receptor. This small molecule inhibitor is a valuable research tool for studying prostaglandin D2 signaling in allergic and inflammatory diseases, applicable in both in vitro and in vivo experimental models.
CAS Number
1203503-64-3
Smiles
O (C1=C (CSC (C) (C) C) C=C (NC (C (C) (C) C) =O) C=C1) C2=C (OC) C=CC (CC (O) =O) =C2
Molecular Formula
C25H33NO5S
Molecular Weight
459.6
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Am-461

DP2 receptor antagonist; structure in first source

CAS Number1203503-64-3
PubChem CID44600763
IUPAC Name2-[3-[2-(tert-butylsulfanylmethyl)-4-(2,2-dimethylpropanoylamino)phenoxy]-4-methoxyphenyl]acetic acid
Molecular FormulaC25H33NO5S
Molecular Weight459.6
XLogP4.9
Topological Polar Surface Area110
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Heavy Atom Count32
Formal Charge0
Complexity627
SMILES
CC(C)(C)C(=O)NC1=CC(=C(C=C1)OC2=C(C=CC(=C2)CC(=O)O)OC)CSC(C)(C)C
InChI
InChI=1S/C25H33NO5S/c1-24(2,3)23(29)26-18-9-11-19(17(14-18)15-32-25(4,5)6)31-21-12-16(13-22(27)28)8-10-20(21)30-7/h8-12,14H,13,15H2,1-7H3,(H,26,29)(H,27,28)
InChIKey
SDHFXINHZHARIB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Am-461
CAS: 1203503-64-3
CID: 44600763
Formula: C25H33NO5S
MW: 459.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight459.6
XLogP34.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Exact Mass459.20794433
Monoisotopic Mass459.20794433
Topological Polar Surface Area110 Ų
Heavy Atom Count32
Formal Charge0
Complexity627
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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