MAFODOTIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C49H76N6O11
Molecular Weight	925.1613
Optical Activity	UNSPECIFIED
Defined Stereocenters	9 / 9
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]1(CCCN1C(=O)C[C@@H](OC)[C@H]([C@@H](C)CC)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)C(=O)CCCCCN2C(=O)C=CC2=O)C(C)C)[C@H](OC)[C@@H](C)C(=O)N[C@@H](CC3=CC=CC=C3)C(O)=O

InChI

InChIKey=ORFNVPGICPYLJV-YTVPMEHESA-N

InChI=1S/C49H76N6O11/c1-12-32(6)44(37(65-10)29-41(59)54-27-19-22-36(54)45(66-11)33(7)46(60)50-35(49(63)64)28-34-20-15-13-16-21-34)53(9)48(62)42(30(2)3)51-47(61)43(31(4)5)52(8)38(56)23-17-14-18-26-55-39(57)24-25-40(55)58/h13,15-16,20-21,24-25,30-33,35-37,42-45H,12,14,17-19,22-23,26-29H2,1-11H3,(H,50,60)(H,51,61)(H,63,64)/t32-,33+,35-,36-,37+,42-,43-,44-,45+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C49H76N6O11
Molecular Weight	925.1613
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	9 / 9
E/Z Centers	0
Optical Activity	UNSPECIFIED

Description
Sources: https://books.google.ru/books?id=CkszDwAAQBAJ&printsec=frontcover&hl=ru#v=onepage&q&f=false | https://www.medkoo.com/products/7912 | https://www.ncbi.nlm.nih.gov/pubmed/29533458 | https://adisinsight.springer.com/drugs/800040119

Mafodotin (mc-MMAF) is a hydrophilic non-cleavable antimicrotubule and antimitotic agent, monomethyl auristatin F (MMAF) derivative, having a maleimidocaproyl linker (mc linker), which is ready to conjugate to an antibody or other proteins or biopolymers. Antibody-drug conjugates having mafodotin such as Depatuxizumab mafodotin and Belantamab mafodotin have undergone clinical trials for the treatment of neoplasms.

Originator

Approval Year

PubMed

Title	Date	PubMed

Patents

Substance Class	Chemical Created by `admin` on `Sat Dec 16 01:30:33 UTC 2023` Edited by `admin` on `Sat Dec 16 01:30:33 UTC 2023`
Record UNII	O19V2N6W9T
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

MAFODOTIN

Official Name

English

N-((2R,3R)-3-((2S)-1-((3R,4S,5S)-4-((N-(6-(2,5-DIOXO-2,5-DIHYDRO-1H-PYRROL-1- YL)HEXANOYL)-N-METHYL-L-VALYL-L-VALYL(METHYLAMINO)-3-METHOXY-5- METHYLHEPTANOYL)PYRROLIDIN-2-YL)-3-METHOXY-2-METHYLPROPANOYL)-L-PHENYLALANINE

Common Name

English

MC-MMAF

Code

English

SGD-1269

Code

English

MCMMAF

Code

English

MAFODOTIN [USAN]

Common Name

English

MCMMA-F

Code

English

L-PHENYLALANINE, N-(6-(2,5-DIHYDRO-2,5-DIOXO-1H-PYRROL-1-YL)-1-OXOHEXYL)-N-METHYL-L-VALYL-L-VALYL-(3R,4S,5S)-3-METHOXY-5-METHYL-4-(METHYLAMINO)HEPTANOYL-(.ALPHA.R,.BETA.R,2S)-.BETA.-METHOXY-.ALPHA.-METHYL-2-PYRROLIDINEPROPANOYL-

Common Name

English

Code System Code Type Description

FDA UNII

O19V2N6W9T