Basic information
- CAS
286370-15-8- Standard SMILES
CCCNC(=O)Nc1ccc(Oc2ncnc3cc(OC)c(OC)cc23)cc1Cl- InChIKey
VPBYZLCHOKSGRX-UHFFFAOYSA-N- Molecular formula
- C20H21ClN4O4
- Average molar mass
- 416.9 g/mol
- Monoisotopic mass
- 416.12513283
Overview
a VEGF receptor-2 tyrosine kinase inhibitor; structure in first source
Names & identifiers
- Preferred name
- Krn-633
- IUPAC
- 1-[2-chloro-4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-propylurea
- English name
- KRN 633
- Molecular formula
- C20H21ClN4O4
- Molecular weight
- 416.86
Names & synonyms
286370-15-8KRN-633KRN 633KRN633K00589aVEGF receptor tyrosine kinase inhibitor III1-{2-chloro-4-[(6,7-dimethoxyquinazolin-4-yl)oxy]phenyl}-3-propylureaE1V875I8DX1-(2-chloro-4-((6,7-dimethoxyquinazolin-4-yl)oxy)phenyl)-3-propylureaUrea, N-[2-chloro-4-[(6,7-dimethoxy-4-quinazolinyl)oxy]phenyl]-N'-propyl-DTXSID60429551N-(2-chloro-4-((6,7-dimethoxy-4-quinazolinyl)oxy)phenyl)-N'-propylurea
Show more names
CS-463KRN 633 USP/EP/BPKRN-633, 10 mM in DMSOVEGFR Tyrosine Kinase Inhibitor III, KRN633KRN 633 (This product is unavailable in the U.S.)N-[2-Chloro-4-(6,7-dimethoxyquinazolin-4-yloxy)phenyl]-N'-propylurea
Urea, N-(2-chloro-4-((6,7-dimethoxy-4-quinazolinyl)oxy)phenyl)-N'-propyl-N-{2-Chloro-4-[(6,7-dimethoxy-4-quinazolinyl)oxy]phenyl}-N'-propylureaRefChem:151470DTXCID503803841-(2-chloro-4-(6,7-dimethoxyquinazolin-4-yloxy)phenyl)-3-propylureaCHEMBL4063811-[2-chloro-4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-propylureaMFCD14155620
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 94.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 529
Physicochemical properties
- Melting point
- 231 · 231-232°C
- Boiling point
- 545.6 · 545.6±50.0 °C(Predicted)
- Density
- 1.321 · 1.321
- storage temp.
- -20 °C · -20°C
- solubility
- 3 mg/mL, · DMSO: soluble3mg/mL, clear (warmed)
- pka
- 13.08 · 13.08±0.70(Predicted)
- form
- powder
- color
- white to beige
- InChI
- 1S/C20H21ClN4O4/c1-4-7-22-20(26)25-15-6-5-12(8-14(15)21)29-19-13-9-17(27-2)18(28-3)10-16(13)23-11-24-19/h5-6,8-11H,4,7H2,1-3H3,(H2,22,25,26)
- InChIKey
- VPBYZLCHOKSGRX-UHFFFAOYSA-N
- FDA UNII
- 1 V875I8DX · E1V875I8DX
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 77 · NA.77
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- wgk
- 3
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- Storage Class
- 13 - Non Combustible Solids
- Hazard statements
- H302
- Hazard Classifications
- Acute Tox. 4 Oral
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
UsesKRN 633 is an ATP-competitive inhibitor of VEGFR1/2/3 with IC50 of 170 nM/160 nM/125 nM and also inhibits PDGFRα/β with IC50 of 965 nM/9850 nM.
UsesKRN 633 is an ATP-competitive inhibitor of vascular endothlial growth factor receptor tyrosine kinase (VEGFR). KRN 633 also suppresses VEGF-dependent activation of MAPK and cell proliferation and demonstrates antitumor and antiangiogenic activity by inhibiting vessel formation and vascular permeability in human tumor xenograft models.
Upstream & downstream products
Upstream raw materials
Suppliers92 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
南通飞宇生物科技有限公司0513-68819626 15152877458 · [email protected]
湖北科乐精细化工有限公司027-59101668 19945030958 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.
Related reactions
7 records
Compound notes
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