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SB-334867 hydrochloride

CAT: 0957-E7599-5mgSize: 5 mgDry Ice: NoHazardous: No
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CAT#:0957-E7599-5mgSize:5 mg
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CAS Number
249889-64-3
Synonyms
SB 334867A
Additionnal Information
SB-334867 hydrochloride (SB 334867A) is an excellent, selective and blood–brain barrier permeable orexin-1 (OX1) receptor antagonist, shows selectivity over OX2 (pKb=7.4), 100-fold over 5-HT2B, 5-HT2C with pKi values of 5.4 and 5.3, respectively. SB-334867 reduces ethanol consumption and inhibits the acquisition of morphine-induced sensitization to locomotor activity in vivo.

Chemical Information

SB-334867

1-(2-methyl-1,3-benzoxazol-6-yl)-3-(1,5-naphthyridin-4-yl)urea is a naphthyridine derivative.

CAS Number249889-64-3
PubChem CID6604926
IUPAC Name1-(2-methyl-1,3-benzoxazol-6-yl)-3-(1,5-naphthyridin-4-yl)urea
Molecular FormulaC17H13N5O2
Molecular Weight319.32
XLogP2
Topological Polar Surface Area92.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count24
Formal Charge0
Complexity462
SMILES
CC1=NC2=C(O1)C=C(C=C2)NC(=O)NC3=C4C(=NC=C3)C=CC=N4
InChI
InChI=1S/C17H13N5O2/c1-10-20-12-5-4-11(9-15(12)24-10)21-17(23)22-14-6-8-18-13-3-2-7-19-16(13)14/h2-9H,1H3,(H2,18,21,22,23)
InChIKey
AKMNUCBQGHFICM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of SB-334867
CAS: 249889-64-3
CID: 6604926
Formula: C17H13N5O2
MW: 319.32
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight319.32
XLogP32
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass319.10692467
Monoisotopic Mass319.10692467
Topological Polar Surface Area92.9 Ų
Heavy Atom Count24
Formal Charge0
Complexity462
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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