BROSTALLICIN HYDROCHLORIDE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C30H35BrN12O5.ClH
Molecular Weight	760.041
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

Cl.CN1C=C(NC(=O)C2=CC(NC(=O)C3=CC(NC(=O)C4=CC(NC(=O)C(Br)=C)=CN4C)=CN3C)=CN2C)C=C1C(=O)NCCNC(N)=N

InChI

InChIKey=IPKHXIAPPAKHTB-UHFFFAOYSA-N

InChI=1S/C30H35BrN12O5.ClH/c1-16(31)25(44)36-17-9-22(41(3)12-17)27(46)38-19-11-24(43(5)14-19)29(48)39-20-10-23(42(4)15-20)28(47)37-18-8-21(40(2)13-18)26(45)34-6-7-35-30(32)33;/h8-15H,1,6-7H2,2-5H3,(H,34,45)(H,36,44)(H,37,47)(H,38,46)(H,39,48)(H4,32,33,35);1H

HIDE SMILES / InChI

Molecular Formula	ClH
Molecular Weight	36.461
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C30H35BrN12O5
Molecular Weight	723.58
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/15090736 | https://www.ncbi.nlm.nih.gov/pubmed/24215845 | https://www.ncbi.nlm.nih.gov/pubmed/19950984

Brostallicin is a DNA minor groove binder which has shown very promising preclinical activity against a variety of human tumors both in vitro and in vivo. Brostallicin shows potent in vitro cytotoxic activity against tumor cells with IC50 values in the low nanomolar range, circumvents resistance to alkylating agents and camptothecins. Brostallicin has broad antitumor activity in animal models. A clear therapeutic gain is observed in preclinical models when brostallicin is combined with anticancer agents such as cisplatin, doxorubicin, and taxotere.

Originator

Approval Year

PubMed

Title	Date	PubMed
Brostallicin versus doxorubicin as first-line chemotherapy in patients with advanced or metastatic soft tissue sarcoma: an European Organisation for Research and Treatment of Cancer Soft Tissue and Bone Sarcoma Group randomised phase II and pharmacogenetic study.	2014 Jan	24215845

Patents

Sample Use Guides

In Vivo Use Guide

maximum tolerated doses were: 10 mg/m2 in the q3w; 2.4 mg/m2 /week in the the q1w

Route of Administration: Intravenous

Substance Class	Chemical Created by `admin` on `Fri Dec 15 17:59:14 GMT 2023` Edited by `admin` on `Fri Dec 15 17:59:14 GMT 2023`
Record UNII	1DKC476797
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BROSTALLICIN HYDROCHLORIDE

Common Name

English

PNU-166196

Code

English

PNU 166196

Code

English

BROSTALLICIN HYDROCHLORIDE [MI]

Common Name

English

4-(2-BROMOACRYLAMIDO)-N'''-(2-GUANIDINOETHYL)-1,1',1'',1'''-TETRAMETHYL-N,4':N',4'':N'',4'''-QUATER(PYRROLE-2-CARBOXAMIDE) HYDROCHLORIDE

Common Name

English

Code System Code Type Description

PUBCHEM

6918407