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CAM 4515

CAT: 0013-GTR19209855-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19209855-01Size:25 mg
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Description
CAM 4515 is a selective, small-molecule antagonist of the neurokinin 1 (NK1) receptor. It is utilized in pharmacological research to investigate the role of substance P signaling in both in vitro assays and in vivo models of pain, inflammation, and emesis.
CAS Number
183023-29-2
Smiles
C ([C@@H] (C (N (CC1=CC=CC=C1) C) =O) NC (OCC2=CC=3C (O2) =CC=CC3) =O) C=4C=5C (NC4) =CC=CC5
Molecular Formula
C29H27N3O4
Molecular Weight
481.54
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Cam 4515

a nonpeptide tachykinin NK1 receptor antagonist; structure given in first source

CAS Number183023-29-2
PubChem CID177370
IUPAC Name1-benzofuran-2-ylmethyl N-[(2S)-1-[benzyl(methyl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate
Molecular FormulaC29H27N3O4
Molecular Weight481.5
XLogP5
Topological Polar Surface Area87.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Heavy Atom Count36
Formal Charge0
Complexity742
SMILES
CN(CC1=CC=CC=C1)C(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)OCC4=CC5=CC=CC=C5O4
InChI
InChI=1S/C29H27N3O4/c1-32(18-20-9-3-2-4-10-20)28(33)26(16-22-17-30-25-13-7-6-12-24(22)25)31-29(34)35-19-23-15-21-11-5-8-14-27(21)36-23/h2-15,17,26,30H,16,18-19H2,1H3,(H,31,34)/t26-/m0/s1
InChIKey
YZFHBXJAFDXRJU-SANMLTNESA-N
Chemical Structure
2D Structure
2D structure of Cam 4515
CAS: 183023-29-2
CID: 177370
Formula: C29H27N3O4
MW: 481.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight481.5
XLogP35
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Exact Mass481.20015635
Monoisotopic Mass481.20015635
Topological Polar Surface Area87.6 Ų
Heavy Atom Count36
Formal Charge0
Complexity742
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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