TROFOLASTAT

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C37H50N10O20
Molecular Weight	954.8479
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC(=O)CC[C@H](NC(=O)N[C@@H](CCC(=O)N[C@@H](CCCCN(CC1=NC=CN1CC(=O)N(CC(O)=O)CC(O)=O)CC2=NC=CN2CC(=O)N(CC(O)=O)CC(O)=O)C(O)=O)C(O)=O)C(O)=O

InChI

InChIKey=FIHVIDKDARACGD-VABKMULXSA-N

InChI=1S/C37H50N10O20/c48-26(6-4-22(35(63)64)41-37(67)42-23(36(65)66)5-7-29(51)52)40-21(34(61)62)3-1-2-10-43(13-24-38-8-11-44(24)15-27(49)46(17-30(53)54)18-31(55)56)14-25-39-9-12-45(25)16-28(50)47(19-32(57)58)20-33(59)60/h8-9,11-12,21-23H,1-7,10,13-20H2,(H,40,48)(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60)(H,61,62)(H,63,64)(H,65,66)(H2,41,42,67)/t21-,22-,23-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C37H50N10O20
Molecular Weight	954.8479
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/28302763 | https://www.ncbi.nlm.nih.gov/pubmed/29401151

Trofolastat (MIP-1404) is a small-molecule inhibitor of PSMA. 99mTc-trofolastat (99mTc-MIP-1404), a small-molecule inhibitor of prostate-specific membrane antigen, shows high potential to detect prostate cancer (PCa) noninvasively using SPECT.

Approval Year

PubMed

Title	Date	PubMed
First Experience With SPECT/CT Using a 99mTc-Labeled Inhibitor for Prostate-Specific Membrane Antigen in Patients With Biochemical Recurrence of Prostate Cancer.	2017 Jan	27775936
SPECT/CT With the PSMA Ligand 99mTc-MIP-1404 for Whole-Body Primary Staging of Patients With Prostate Cancer.	2018 Apr	29401151
(99m) Tc-MIP-1404-SPECT/CT for the detection of PSMA-positive lesions in 225 patients with biochemical recurrence of prostate cancer.	2018 Jan	29105797

Substance Class	Chemical Created by `admin` on `Sat Dec 16 09:24:23 GMT 2023` Edited by `admin` on `Sat Dec 16 09:24:23 GMT 2023`
Record UNII	65ZW6NF97U
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

TROFOLASTAT

Official Name

English

TROFOLASTAT [USAN]

Common Name

English

MIP-1404

Code

English

N2-(((1S)-1,3-DICARBOXYPROPYL)CARBAMOYL)-L-.GAMMA.-GLUTAMYL-N6,N6-BIS((1-(2-(BIS(CARBOXYMETHYL)AMINO)-2-OXOETHYL)-1H-IMIDAZOL-2-YL)METHYL)-L-LYSINE

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C1937