Products for Research Use Only
RegisterLogin

Lanepitant

CAT: 0931-T25615-03Size: 50 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-T25615-03Size:50 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
170566-84-4
Target
Others, Neurokinin receptor
Related Pathways
Neuroscience, GPCR/G Protein, Others
Purity
0.9841
Bioactivity
Lanepitant (LY303870) is a nonpeptide neurokinin-1 (NK-1) antagonist with analgesic activity that inhibits neurogenic dura mater inflammation and is used for the prevention of migraine.
Smiles
C([C@H](CN(CC1=C(OC)C=CC=C1)C(C)=O)NC(CN2CCC(CC2)N3CCCCC3)=O)C=4C=5C(NC4)=CC=CC5
Molecular Formula
C33H45N5O3
Molecular Weight
559.74
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Lanepitant

Lanepitant is a small molecule drug. The usage of the INN stem '-pitant' in the name indicates that Lanepitant is a neurokinin NK1​ (substance P) receptor antagonist. Lanepitant has a monoisotopic molecular weight of 559.35 Da.

CAS Number170566-84-4
PubChem CID3086681
IUPAC NameN-[(2R)-1-[acetyl-[(2-methoxyphenyl)methyl]amino]-3-(1H-indol-3-yl)propan-2-yl]-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide
Molecular FormulaC33H45N5O3
Molecular Weight559.7
XLogP4.2
Topological Polar Surface Area80.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count11
Heavy Atom Count41
Formal Charge0
Complexity828
SMILES
CC(=O)N(CC1=CC=CC=C1OC)C[C@@H](CC2=CNC3=CC=CC=C32)NC(=O)CN4CCC(CC4)N5CCCCC5
InChI
InChI=1S/C33H45N5O3/c1-25(39)38(22-26-10-4-7-13-32(26)41-2)23-28(20-27-21-34-31-12-6-5-11-30(27)31)35-33(40)24-36-18-14-29(15-19-36)37-16-8-3-9-17-37/h4-7,10-13,21,28-29,34H,3,8-9,14-20,22-24H2,1-2H3,(H,35,40)/t28-/m1/s1
InChIKey
CVXJAPZTZWLRBP-MUUNZHRXSA-N
Chemical Structure
2D Structure
2D structure of Lanepitant
CAS: 170566-84-4
CID: 3086681
Formula: C33H45N5O3
MW: 559.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight559.7
XLogP34.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count11
Exact Mass559.35224031
Monoisotopic Mass559.35224031
Topological Polar Surface Area80.9 Ų
Heavy Atom Count41
Formal Charge0
Complexity828
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

Alternative Products

CatalogName
M34088-01Lanepitant
M34089-01Lanepitant 2HCl
MBS5775340Lanepitant HCl
HY-105137-01Lanepitant (dihydrochloride)
MBS5775341Lanepitant HCl trihydrate

Popular Products