Falnidamol

HCID 6918508
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Basic information

CAS
196612-93-8
Standard SMILES
CN1CCC(Nc2ncc3ncnc(Nc4ccc(F)c(Cl)c4)c3n2)CC1
InChIKey
FTFRZXFNZVCRSK-UHFFFAOYSA-N
Molecular formula
C18H19ClFN7
Average molar mass
387.8 g/mol
Monoisotopic mass
387.13744951

Overview

N4-(3-chloro-4-fluorophenyl)-N6-(1-methyl-4-piperidinyl)pyrimido[5,4-d]pyrimidine-4,6-diamine is a substituted aniline.

Names & identifiers

Preferred name
Falnidamol
IUPAC
4-N-(3-chloro-4-fluorophenyl)-6-N-(1-methylpiperidin-4-yl)pyrimido[5,4-d]pyrimidine-4,6-diamine
English name
Bibx 1382 dihydrochloride
Molecular formula
C18H19ClFN7
Molecular weight
387.84

Names & synonyms

FalnidamolBIBX 1382BIBX1382BIBX-1382Falnidamol [INN]N8-(3-Chloro-4-fluorophenyl)-N2-(1-methylpiperidin-4-yl)pyrimido[5,4-d]pyrimidine-2,8-diamine0MU316797DUNII-0MU316797DFALNIDAMOL [WHO-DD]DTXSID00483998-(3-Chloro-4-fluoroanilino)-2-((1-methyl-4-piperidyl)amino)pyrimido(5,4-d)pyrimidineN-(3-chloro-4-fluorophenyl)-N'-(1-methylpiperidin-4-yl)pyrimido[4,5-e]pyrimidine-4,6-diamine
Show more names
FalnidCS-928Falnidamol, 10 mM in DMSOBibx 1382 dihydrochlorideEGFR Inhibitor II, BIBX1382
N8-(3-CHLORO-4-FLUOROPHENYL)-N2-(1-METHYLPIPERIDIN-4-YL)PYRIMIDO[5,4-D][1,3]DIAZINE-2,8-DIAMINEPyrimido(5,4-d)pyrimidine-2,8-diamine, N8-(3-chloro-4-fluorophenyl)-N2-(1-methyl-4-piperidinyl)-falnidamolumN-(3-chloro-4-fluorophenyl)-N'-(1-methylpiperidin-4-yl)pyrimido(4,5-e)pyrimidine-4,6-diamineN8-(3-chloro-4-fluorophenyl)-N2-(1-methylpiperidin-4-yl)pyrimido(5,4-d)(1,3)diazine-2,8-diamineN8-(3-Chloro-4-fluorophenyl)-N2-(1-methylpiperidin-4-yl)pyrimido(5,4-d)pyrimidine-2,8-diamineRefChem:139911EGFR Inhibitor BIBX 1382

Database identifiers

CAS
196612-93-8
PubChem CID
6918508
DTXSID
DTXSID0048399
ChEMBL
CHEMBL258940
ChEBI
CHEBI:93243
UNII
0MU316797D
Nikkaji
J1.269.203J

Properties

Computed structural properties

XLogP
3.4
Topological polar surface area
78.9 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
8
Rotatable bonds
4
Heavy atoms
27

Experimental & physicochemical properties

DrugsPharmaceuticals -> Listed in ZINC15

Physicochemical properties

Melting point
217 °C · >217°C (dec.)
Boiling point
552 · 552.0±60.0 °C(Predicted)
Density
1.427 · 1.427
storage temp.
2 · Keep in dark place,Inert atmosphere,2-8°C
solubility
DMSO (Slightly), Methanol (Slightly)
form
Solid

Safety & regulation

Toxicology

Drug Induced Liver Injury · 6 items

Drug Induced Liver Injury Rank (DILIrank 2.0)

Falnidamol

vMost-DILI-concern

8

Discontinued

DOI:10.1016/j.drudis.2016.02.015

Safety data

wgk
WGK 2
Signal word
Warning
Symbol(GHS)
GHS07
Storage Class
11 - Combustible Solids
Hazard statements
H302-H315-H319-H335
Precautionary statements
P261-P305+P351+P338

Chemistry & industry

Applications

UsesFalnidamol is a novel ErbB receptor kinase inhibitor that is more potent at inhibiting signaling induced by TGF-α than that induced by neuregulin1-β1 or anti-ErbB2 agonist antibodies.

UsesBIBX 1382 Dihydrochloride, is a potent, selective inhibitor of epidermal growth factor receptor (EGFR) tyrosine kinase (IC50 = 3 nM).

Suppliers59 total

北京华美互利生物化工010-56205725 · [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]
杭州品高化工有限公司0571-87658025 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

Additional notes

DefinitionChEBI: N4-(3-chloro-4-fluorophenyl)-N6-(1-methyl-4-piperidinyl)pyrimido[5,4-d]pyrimidine-4,6-diamine is a substituted aniline.

Related reactions

2 records
New reaction record

Compound notes

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