FEXAPOTIDE TRIFLUTATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C90H163N27O25S.5C2HF3O2
Molecular Weight	2625.6099
Optical Activity	UNSPECIFIED
Defined Stereocenters	20 / 20
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(C)C)C(O)=O

InChI

InChIKey=IBMWAUVJJROIMB-IWEBAUSJSA-N

InChI=1S/C90H163N27O25S.5C2HF3O2/c1-15-48(12)68(95)84(137)110-60(41-67(123)124)81(134)105-55(28-31-64(93)119)75(128)104-56(29-32-65(94)120)77(130)115-69(47(10)11)85(138)111-59(39-45(6)7)80(133)113-62(42-118)82(135)103-54(27-23-37-101-90(98)99)76(129)116-70(49(13)16-2)86(139)108-52(25-19-21-35-92)73(126)109-58(38-44(4)5)79(132)106-57(30-33-66(121)122)78(131)117-71(50(14)17-3)87(140)107-51(24-18-20-34-91)72(125)102-53(26-22-36-100-89(96)97)74(127)114-63(43-143)83(136)112-61(88(141)142)40-46(8)9;5*3-2(4,5)1(6)7/h44-63,68-71,118,143H,15-43,91-92,95H2,1-14H3,(H2,93,119)(H2,94,120)(H,102,125)(H,103,135)(H,104,128)(H,105,134)(H,106,132)(H,107,140)(H,108,139)(H,109,126)(H,110,137)(H,111,138)(H,112,136)(H,113,133)(H,114,127)(H,115,130)(H,116,129)(H,117,131)(H,121,122)(H,123,124)(H,141,142)(H4,96,97,100)(H4,98,99,101);5*(H,6,7)/t48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,68-,69-,70-,71-;;;;;/m0...../s1

HIDE SMILES / InChI

Molecular Formula	C2HF3O2
Molecular Weight	114.0234
Charge	0
Count

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

Molecular Formula	C90H163N27O25S
Molecular Weight	2055.4928
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	20 / 20
E/Z Centers	0
Optical Activity	UNSPECIFIED

Description
Sources: https://nymox.com/science/fexapotide-for-bph | https://www.ncbi.nlm.nih.gov/pubmed/29380128

FEXAPOTIDE is a protein drug that is under development for the treatment of benign prostatic hyperplasia (prostate enlargement, BPH) and for low grade localized prostate cancer. It safely targets prostate glandular cells that have proliferated in BPH. FEXAPOTIDE works by a mechanism of inducing apoptosis.

Originator

Approval Year

PubMed

Title	Date	PubMed
Efficacy and safety of fexapotide triflutate in outpatient medical treatment of male lower urinary tract symptoms associated with benign prostatic hyperplasia.	2018-09-07	30719081
Fexapotide triflutate: results of long-term safety and efficacy trials of a novel injectable therapy for symptomatic prostate enlargement.	2018-05	29380128

Sample Use Guides

In Vivo Use Guide

FEXAPOTIDE 2.5 mg in 10 ml phosphate buffered saline (PBS) sterile solution.

Route of Administration: Other

Substance Class	Chemical Created by `admin` on `Mon Mar 31 23:41:08 GMT 2025` Edited by `admin` on `Mon Mar 31 23:41:08 GMT 2025`
Record UNII	98LVA678ME
Record Status	`FAILED`
Record Version

Download

Name

Type

Language

NX-1207 TRIFLUOROACETATE

Preferred Name

English

FEXAPOTIDE TRIFLUTATE

Official Name

English

Fexapotide triflutate [WHO-DD]

Common Name

English

L-LEUCINE, L-ISOLEUCYL-L-.ALPHA.-ASPARTYL-L-GLUTAMINYL-L-GLUTAMINYL-L-VALYL-L-LEUCYL-L-SERYL-L-ARGINYL-L-ISOLEUCYL-L-LYSYL-L-LEUCYL-L-.ALPHA.-GLUTAMYL-L-ISOLEUCYL-L-LYSYL-L-ARGINYL-L-CYSTEINYL-, 2,2,2-TRIFLUOROACETATE (1:5)

Systematic Name

English

ILE-ASP-GLN-GLN-VAL-LEU-SER-ARG-ILE-LYS-LEU-GLU-ILE-LYS-ARG-CYS-LEU TRIFLUOROACETATE

Common Name

English

FEXAPOTIDE TRIFLUTATE [USAN]

Common Name

English

Code System Code Type Description

CAS

1609252-56-3