ChemicalBook CAS DataBase List 196612-93-8

196612-93-8

Name	BIBX 1382 DIHYDROCHLORIDE
CAS	196612-93-8
Molecular Formula	C18H19ClFN7
MDL Number	MFCD08703119
Molecular Weight	387.84
MOL File	196612-93-8.mol

Synonyms

CS-928 Falnid Falnidamol Unii-0mu316797d Falnidamol [inn] BIBX 1382 DIHYDROCHLORIDE FALNIDAMOL; BIBX-1382; BIBX 1382 8-(3-Chloro-4-fluoroanilino)-2-((1-methyl-4-piperidyl)amino)pyrimido(5,4-D)pyrimidine N4-(3-chloro-4-fluoro-phenyl)-N6-(1-methyl-4-piperidyl)pyrimido[5,4-d]pyrimidine-4,6-diamine N8-(3-Chloro-4-fluorophenyl)-N2-(1-methyl-4-piperidinyl)pyrimido[5,4-d]pyrimidine-2,8-diamine N8-(3-Chloro-4-fluorophenyl)-N2-(1-methylpiperidin-4-yl)pyrimido[5,4-d]pyrimidine-2,8-diamine Pyrimido(5,4-D)pyrimidine-2,8-diamine, N8-(3-chloro-4-fluorophenyl)-N2-(1-methyl-4-piperidinyl)- N8-(3-Chloro-4-fluorophenyl)-N2-(1-methyl-4-piperidinyl)-pyrimido[5,4-d]pyrimidine-2,8-diaminedihydrochloride N8-(3-CHLORO-4-FLUOROPHENYL)-N2-(1-METHYL-4-PIPERIDINYL)-PYRIMIDO[5,4-D]PYRIMIDINE-2,8-DIAMINE DIHYDROCHLORIDE N8-(3-Chloro-4-fluorophenyl)-N2-(1-methyl-4-piperidinyl)pyrimido[5,4-d]pyrimidine-2,8-diamine BIBX 1382 BIBX 1382 dihydrochloride,N8-(3-Chloro-4-fluorophenyl)-N2-(1-methyl-4-piperidinyl)-pyrimido[5,4-d]pyrimidine-2,8-diaminedihydrochloride

Chemical Properties

Melting point	>217°C (dec.)
Boiling point	552.0±60.0 °C(Predicted)
density	1.427
storage temp.	Keep in dark place,Inert atmosphere,2-8°C
solubility	DMSO (Slightly), Methanol (Slightly)
form	Solid
pka	8?+-.0.10(Predicted)
color	Pale Yellow to Yellow
Water Solubility	water: 1mg/mL DMSO: 25mg/mL
InChI	1S/C18H19ClFN7/c1-27-6-4-11(5-7-27)25-18-21-9-15-16(26-18)17(23-10-22-15)24-12-2-3-14(20)13(19)8-12/h2-3,8-11H,4-7H2,1H3,(H,21,25,26)(H,22,23,24)
InChIKey	FTFRZXFNZVCRSK-UHFFFAOYSA-N
SMILES	Fc1c(cc(cc1)Nc2ncnc3c2nc(nc3)NC4CCN(CC4)C)Cl

Safety Data

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

Hazard Information

Uses

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

Uses

Falnidamol 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.

Definition

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

Biological Activity

Potent, selective inhibitor of epidermal growth factor receptor (EGFR) tyrosine kinase (IC 50 = 3 nM). Displays > 1000-fold lower potency against ErbB2 (IC 50 = 3.4 μ M) and a range of other related tyrosine kinases (IC 50 > 10 μ M). Oral administration inhibits growth of established human xenografts in athymic mice.

in vivo

Falnidamol (BIBX 1382; p.o.; 10 mg/kg/day; 16 days) completely suppressed tumor growth of human A431 xenografts with respective a T/C value of 15% after 2 weeks of treatment^[2].
Falnidamol (50 mg/kg/day for 2 weeks) results in dephosphorylation of the EGF receptor in A431 xenograft-bearing mice^[2].
With Falnidamol (p.o.; 10 mg/kg/day; 16 days), the C_4h is 2222 nM and the C_24h is 244 nM^[2].

Animal Model:	Five- to six-week-old athymic NMRI-nu/nu female mice (21-31 g) with A431, FaDu, or HN5 cells^[2]
Dosage:	10 mg/kg
Administration:	p.o.; daily; 16 days
Result:	Completely suppressed tumor growth of human A431 xenografts with respective T/C values of 15 and 6% after 2 weeks of treatment.

Animal Model:	Five- to six-week-old athymic NMRI-nu/nu female mice (21–31 g) with A431 cells^[2]
Dosage:	10 mg/kg (Pharmacokinetic Analysis)
Administration:	p.o.; daily; 16 days
Result:	The C_4h is 2222 nM and the C_24h is 244 nM.

IC 50

EGFR: 3 nM (IC₅₀); ErbB2: 3.4 μM (IC₅₀)

References

1. f. f. solca, a. baum, e. langkopf, g. dahmann, k. h. heider, f. himmelsbach and j. c. van meel, j pharmacol exp ther 2004, 311, 502-509.

Spectrum Detail

Supplier

Shanghai Boyle Chemical Co., Ltd.

Telephone

Websitehttp://www.boylechem.com

3B Pharmachem (Wuhan) International Co.,Ltd.

Telephone 18930552037

Websitehttps://www.chemicalbook.com/ShowSupplierProductsList13285/0_EN.htm

Chembest Research Laboratories Limited

Telephone021-20908456

Websitehttp://www.BioChemBest.com

Beijing HuaMeiHuLiBiological Chemical

Telephone010-56205725

Websitehttp://www.huabeibiochem.com/

Haoyuan Chemexpress Co., Ltd.

Telephone021-58950125

Websitehttp://gb.chemexpress.com.cn

Bide Pharmatech Ltd.

Telephone400-164-7117 18317119277

Websitehttp://www.bidepharm.com

AdooQ Bioscience CHINA

Telephone025-58849295

Websitehttp://www.adooq.cn

LETOPHARM LIMITED

Telephone+86-21-5821 5861

Websitehttp://www.letopharm.com

Shanghai Lollane Biological Technology Co.,Ltd.

Telephone021-52996696，15000506266 15000506266

Websitehttp://www.bioll.com

SPIRO PHARMA

Telephone

Websitehttp://www.spiropharma.com.cn

Shanghai EFE Biological Technology Co., Ltd.

Telephone021-65675885 18964387627

Websitehttp://www.efebio.com

Guangzhou QiYun Biotechnology Co., Ltd.

Telephone020-61288194 61288195

Websitehttp://www.gzqiyun.com

Shanghai YuanYe Biotechnology Co., Ltd.

Telephone 13636370518

Websitehttps://www.shyuanye.com

ShangHai Biochempartner Co.,Ltd

Telephone177-54423994 17754423994

Websitehttps://www.biochempartner.com

Amadis Chemical Company Limited

Telephone571-89925085

Websitehttp://www.amadischem.com

Chuzhou KeMail Chemical Technology Co., Ltd

Telephone0550-5196001 15000891977

Websitehttps://www.chemicalbook.com/ShowSupplierProductsList19947/0_EN.htm

Shanghai Biopharmaleader Co., Ltd.

Telephone+86 18721201413

Websitehttp://www.biopharmaleader.com

Amatek Scientific Co. Ltd.

Telephone0512-56316828 400-867-5858;400-867-5858

Websitehttp://www.amateksci.com

1of4

Related Products

Send Inquriy