MIPSAGARGIN TRIFLUOROACETATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C66H100N6O27.C2HF3O2
Molecular Weight	1523.5475
Optical Activity	UNSPECIFIED
Defined Stereocenters	13 / 13
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of MIPSAGARGIN TRIFLUOROACETATE

Structure Search

SMILES

OC(=O)C(F)(F)F.[H][C@@]12OC(=O)[C@@](C)(O)[C@@]1(O)[C@H](C[C@](C)(OC(C)=O)[C@@]3([H])[C@H](OC(=O)CCCCCCC)[C@@H](OC(=O)C(\C)=C/C)C(C)=C23)OC(=O)CCCCCCCCCCCNC(=O)C[C@H](N)C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O)C(O)=O)C(O)=O

InChI

InChIKey=OGVQREZBFFUDOI-GPQWSCTHSA-N

InChI=1S/C66H100N6O27.C2HF3O2/c1-8-10-11-17-20-24-51(81)96-55-53-52(37(4)54(55)97-62(91)36(3)9-2)56-66(94,65(7,93)63(92)98-56)44(35-64(53,6)99-38(5)73)95-50(80)23-21-18-15-13-12-14-16-19-22-33-68-48(77)34-39(67)57(82)72-43(61(89)90)27-31-47(76)70-41(59(85)86)25-29-45(74)69-40(58(83)84)26-30-46(75)71-42(60(87)88)28-32-49(78)79;3-2(4,5)1(6)7/h9,39-44,53-56,93-94H,8,10-35,67H2,1-7H3,(H,68,77)(H,69,74)(H,70,76)(H,71,75)(H,72,82)(H,78,79)(H,83,84)(H,85,86)(H,87,88)(H,89,90);(H,6,7)/b36-9-;/t39-,40-,41-,42-,43-,44-,53+,54-,55-,56-,64-,65+,66+;/m0./s1

HIDE SMILES / InChI

Molecular Formula	C2HF3O2
Molecular Weight	114.0233
Charge	0
Count

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

Molecular Formula	C66H100N6O27
Molecular Weight	1409.5242
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	13 / 13
E/Z Centers	3
Optical Activity	UNSPECIFIED

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/25856061 | https://clinicaltrials.gov/ct2/show/NCT01777594 | https://clinicaltrials.gov/ct2/show/NCT02067156 | https://phytonbiotech.com/patent-application-for-genspera-partner-phyton-biotech-is-published-by-world-intellectual-property-organization-wipo/

Inspyr Therapeutics (formerly GenSpera) developed mipsagargin (previously known as G-202), as a novel thapsigargin-based targeted prodrug that is activated by prostate-specific membrane antigen (PSMA)-mediated cleavage of an inert masking peptide. The active moiety is an inhibitor of the sarcoplasmic/endoplasmic reticulum calcium adenosine triphosphatase (SERCA) pump protein that is necessary for cellular viability. Mipsagargin was granted Orphan Drug designation by the U.S. Food and Drug Administration (FDA) in 2013 for evaluation in patients with hepatocellular carcinoma. In addition, mipsagargin has been studied in phase 2 clinical trial in patients with recurrent or progressive glioblastoma, in patients with clear cell renal cell carcinoma that expresses PSMA. Mipsagargin is expected to be launched on the market in the coming years.

Originator

Approval Year

PubMed

Title	Date	PubMed

Sample Use Guides

In Vivo Use Guide

G-202 (Mipsagargin) administered by intravenous infusion (IV, in the vein) on Days 1, 2 and 3 of each 28-day cycle until progression or development of unacceptable toxicity

Route of Administration: Intravenous

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:22:14 GMT 2023` Edited by `admin` on `Sat Dec 16 08:22:14 GMT 2023`
Record UNII	Y6NN6U0WW6
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

MIPSAGARGIN TRIFLUOROACETATE

Common Name

English

Code System Code Type Description

PUBCHEM

131634755

Created by admin on Sat Dec 16 08:22:14 GMT 2023 , Edited by admin on Sat Dec 16 08:22:14 GMT 2023

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FDA UNII

Y6NN6U0WW6

Created by admin on Sat Dec 16 08:22:14 GMT 2023 , Edited by admin on Sat Dec 16 08:22:14 GMT 2023

PRIMARY

CAS

1627852-87-2

Created by admin on Sat Dec 16 08:22:14 GMT 2023 , Edited by admin on Sat Dec 16 08:22:14 GMT 2023

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MIPSAGARGIN

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