MOTIXAFORTIDE ACETATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C97H144FN33O19S2.6C2H4O2
Molecular Weight	2519.831
Optical Activity	UNSPECIFIED
Defined Stereocenters	14 / 14
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(O)=O.CC(O)=O.CC(O)=O.CC(O)=O.CC(O)=O.CC(O)=O.[H][C@@]12CCCN1C(=O)[C@@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@]([H])(CCCNC(N)=O)NC(=O)[C@H](CC3=CC=C(O)C=C3)NC(=O)[C@H](CSSC[C@]([H])(NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@]([H])(CCCNC(N)=N)NC(=O)[C@H](CC4=CC=C(O)C=C4)NC2=O)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O)NC(=O)[C@H](CC5=CC6=C(C=CC=C6)C=C5)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)C7=CC=C(F)C=C7

InChI

InChIKey=GMUZYOKQKWMETH-MEMSBXIYSA-N

InChI=1S/C97H144FN33O19S2.6C2H4O2/c98-60-33-31-58(32-34-60)78(135)119-65(19-8-42-113-93(104)105)79(136)121-68(21-10-44-115-95(108)109)83(140)126-73(51-56-25-30-57-14-1-2-15-59(57)48-56)87(144)130-75-53-152-151-52-74(88(145)118-63(77(101)134)18-7-41-112-92(102)103)129-84(141)69(23-12-46-117-97(111)150)122-81(138)66(20-9-43-114-94(106)107)124-86(143)72(50-55-28-37-62(133)38-29-55)128-90(147)76-24-13-47-131(76)91(148)70(17-4-6-40-100)125-82(139)64(16-3-5-39-99)120-80(137)67(22-11-45-116-96(110)149)123-85(142)71(127-89(75)146)49-54-26-35-61(132)36-27-54;6*1-2(3)4/h1-2,14-15,25-38,48,63-76,132-133H,3-13,16-24,39-47,49-53,99-100H2,(H2,101,134)(H,118,145)(H,119,135)(H,120,137)(H,121,136)(H,122,138)(H,123,142)(H,124,143)(H,125,139)(H,126,140)(H,127,146)(H,128,147)(H,129,141)(H,130,144)(H4,102,103,112)(H4,104,105,113)(H4,106,107,114)(H4,108,109,115)(H3,110,116,149)(H3,111,117,150);6*1H3,(H,3,4)/t63-,64-,65-,66-,67-,68-,69-,70+,71-,72-,73-,74-,75-,76-;;;;;;/m0....../s1

HIDE SMILES / InChI

Molecular Formula	C2H4O2
Molecular Weight	60.052
Charge	0
Count

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

Molecular Formula	C97H144FN33O19S2
Molecular Weight	2159.519
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	14 / 14
E/Z Centers	0
Optical Activity	UNSPECIFIED

Description
Sources: http://www.biolinerx.com/default.asp?pageid=16&itemid=647 | https://clinicaltrials.gov/ct2/show/NCT03246529 | https://www.prnewswire.com/news-releases/biolinerxs-bl-8040-receives-orphan-drug-designation-for-treatment-of-aml-222941921.html

BioLineRx Ltd has developed BL-8040, a short peptide for the treatment of solid tumors, acute myeloid leukemia, or AML, and stem-cell mobilization for bone-marrow transplantation. BL-8040 acts as CXCR4 antagonist. CXCR4 is a chemokine receptor that is directly involved in tumor progression, angiogenesis, metastasis, and cell survival. In February 2019 US Food and Drug Administration (FDA) has granted Orphan Drug Designation to BL-8040, for the treatment of pancreatic cancer. Previously FDA had granted Orphan Drug Designation for the treatment of acute myeloid leukemia and stem-cell mobilization.

Originator

Approval Year

PubMed

Title	Date	PubMed
T140 analogs as CXCR4 antagonists identified as anti-metastatic agents in the treatment of breast cancer.	2003 Aug 28	12935890
Single Dose of the CXCR4 Antagonist BL-8040 Induces Rapid Mobilization for the Collection of Human CD34(+) Cells in Healthy Volunteers.	2017 Nov 15	28835380

Sample Use Guides

In Vivo Use Guide

Multiple Myeloma: BL-8040 1.25mg/kg + G-CSF. Up to 2 SC injections of BL-8040 are anticipated during the study

Route of Administration: Other

Substance Class	Chemical Created by `admin` on `Sat Dec 16 11:18:49 GMT 2023` Edited by `admin` on `Sat Dec 16 11:18:49 GMT 2023`
Record UNII	3ZPX60DV8A
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

MOTIXAFORTIDE ACETATE

Official Name

English

MOTIXAFORTIDE ACETATE [USAN]

Common Name

English

L-ARGININAMIDE, N2-(4-FLUOROBENZOYL)-L-ARGINYL-L-ARGINYL-3-(2-NAPHTHALENYL)-L-ALANYL-L-CYSTEINYL-L-TYROSYL-N5-(AMINOCARBONYL)-L-ORNITHYL-L-LYSYL-D-LYSYL-L-PROLYL-L-TYROSYL-L-ARGINYL-N5-(AMINOCARBONYL)-L-ORNITHYL-L-CYSTEINYL-, CYCLIC (4->13)-DISULFIDE, HE

Systematic Name

English

APHEXDA

Brand Name

English

BL-8040 ACETATE

Code

English

TF-14016 ACETATE

Code

English

Code System Code Type Description

SMS_ID

300000044776