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LY 272015 hydrochloride

CAT: 0931-T22948-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T22948-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
172895-15-7
Target
5-HT Receptor
Related Pathways
GPCR/G Protein, Neuroscience
Purity
0.9947
Bioactivity
LY 272015 hydrochloride is an orally active and selective 5-HT2B receptor antagonist that displays antihypertensive effects in DOCA-salt hypertensive rats.LY 272015 hydrochloride inhibits 5-HT- or BW723C86-induced ERK2 phosphorylation and attenuates MVIC and Tissue downstream cellular effects of 5HT signaling and can be used to study hepatocellular carcinoma.
Smiles
Cl.O(C1=CC=C(C=C1OC)CC2NCCC=3C=4C=C(C=CC4NC32)C)C
Molecular Formula
C21H25ClN2O2
Molecular Weight
372.89
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

LY 272015 Hydrochloride
CAS Number172895-15-7
PubChem CID9929423
IUPAC Name1-[(3,4-dimethoxyphenyl)methyl]-6-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydrochloride
Molecular FormulaC21H25ClN2O2
Molecular Weight372.9
Topological Polar Surface Area46.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count26
Formal Charge0
Complexity446
SMILES
CC1=CC2=C(C=C1)NC3=C2CCNC3CC4=CC(=C(C=C4)OC)OC.Cl
InChI
InChI=1S/C21H24N2O2.ClH/c1-13-4-6-17-16(10-13)15-8-9-22-18(21(15)23-17)11-14-5-7-19(24-2)20(12-14)25-3;/h4-7,10,12,18,22-23H,8-9,11H2,1-3H3;1H
InChIKey
BKAZOTIBKRWLQA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of LY 272015 Hydrochloride
CAS: 172895-15-7
CID: 9929423
Formula: C21H25ClN2O2
MW: 372.9
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight372.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass372.1604557
Monoisotopic Mass372.1604557
Topological Polar Surface Area46.3 Ų
Heavy Atom Count26
Formal Charge0
Complexity446
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes