CAS 249889-64-3 SB-334867 (HCID 6604926)

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Basic information

CAS: 249889-64-3
Standard SMILES: Cc1nc2ccc(NC(=O)Nc3ccnc4cccnc34)cc2o1
InChIKey: AKMNUCBQGHFICM-UHFFFAOYSA-N
Molecular formula: C17H13N5O2
Average molar mass: 319.32 g/mol
Monoisotopic mass: 319.10692466

Overview

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

Names & identifiers

Preferred name: SB-334867
IUPAC: 1-(2-methyl-1,3-benzoxazol-6-yl)-3-(1,5-naphthyridin-4-yl)urea
English name: N-(2-METHYL-6-BENZOOXAZOLYL)-N''-1,5-NAPHTHYRIDIN-4-YL UREA
Molecular formula: C17H13N5O2
Molecular weight: 319.32

Names & synonyms

792173-99-0SB-3348671-(2-methyl-1,3-benzoxazol-6-yl)-3-(1,5-naphthyridin-4-yl)ureaRefChem:181575110-450-01-(2-methylbenzo[d]oxazol-6-yl)-3-(1,5-naphthyridin-4-yl)urea249889-64-3SB-334867 free baseSB 334867SB-334867 (free base)N-(2-methyl-6-benzoxazolyl)-N'-1,5-naphthyridin-4-yl-UreaMFCD06411602

Show more names

CS-1891SB-334867 ，S7585SB334867/SB-334867SB-334867,CID 6604926SB-334867 >=98% (HPLC)SB 334867, OX1 receptor antagonistSB-334867 free base, 10 mM in DMSON-(2-methyl-6-benzoxazolyl)-N'-1,5-naphthyridin-4-yl

SB334867A free baseN-(2-METHYL-6-BENZOXAZOLYL)-N'-1,5-NAPHTHYRIDIN-4-YL UREACHEMBL291536SB334867SB-334867-ASB-334,867AKMNUCBQGHFICM-UHFFFAOYSA-N792173-99-0 (free base)

Database identifiers

CAS

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 92.9 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 5
Rotatable bonds: 2
Heavy atoms: 24
Formal charge: 0
Complexity: 462

Physicochemical properties

Boiling point: 450.5 · 450.5±30.0 °C(Predicted)
Density: 1.472 · 1.472
storage temp.: room temp
solubility: 2 O; · insoluble in H2O; insoluble in EtOH; ≥14.55 mg/mL in DMSO
pka: 10.21 · 10.21±0.43(Predicted)
form: powder
color: white to beige
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
SMILES: O=C(NC1=CC=C(N=C(C)O2)C2=C1)NC3=CC=NC4=C3N=CC=C4
CAS DataBase Reference: 792173 · 792173-99-0
UNSPSC Code: 51111800 · 51111800
NACRES: 77 · NA.77
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements

Safety & regulation

GHS classification

GHS Classification · 6 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

Hazard information

Hazard Classes and Categories · 2 items

Skin Irrit. 2 (100%)

Safety data

wgk: WGK 3
Signal word: Warning
Symbol(GHS): GHS07
Storage Class: 11 - Combustible Solids
Hazard statements: H315
Hazard Classifications: Skin Irrit. 2
Precautionary statements: P264-P280-P302+P352-P332+P313-P362+P364

Chemistry & industry

Applications

UsesSB 334867 is an orexin 1 receptor antagonist.

Suppliers67 total

南通飞宇生物科技有限公司0513-68819626 15152877458 · [email protected]

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]

成都超九八生物科技有限公司13348960310 13348960310 · [email protected]

武汉敬康恩生物医药科技有限公司13720134139 086-15871494362 13720134139 · [email protected]

Related reactions

1 records

New reaction record

HRID 1783293As productuspto-grants-2009_03

Compound notes

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