BNOTA-PRGD2 GA-68

Investigational

Details

Stereochemistry	EPIMERIC
Molecular Formula	C87H125N24O28S.Ga
Molecular Weight	2055.06
Optical Activity	UNSPECIFIED
Defined Stereocenters	9 / 10
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[68Ga+3].NC(=N)NCCC[C@@H]1NC(=O)[C@H](CCCCNC(=O)CC[C@H](NC(=O)COCCOCCOCCNC(=S)NC2=CC=C(CC3CN(CC([O-])=O)CCN(CC([O-])=O)CCN3CC([O-])=O)C=C2)C(=O)NCCCC[C@@H]4NC(=O)[C@H](CC5=CC=C(O)C=C5)NC(=O)[C@@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC4=O)NC(=O)[C@@H](CC6=CC=C(O)C=C6)NC(=O)[C@H](CC(O)=O)NC(=O)CNC1=O

InChI

InChIKey=REZUNGDMWFMGQF-NPCFHTFHSA-K

InChI=1S/C87H128N24O28S.Ga/c88-85(89)94-27-5-9-58-77(129)97-44-68(115)101-65(42-71(118)119)83(135)107-63(40-52-13-19-56(112)20-14-52)81(133)105-60(79(131)103-58)7-1-3-25-92-67(114)24-23-62(100-70(117)50-139-38-37-138-36-35-137-34-29-96-87(140)99-54-17-11-51(12-18-54)39-55-46-110(48-74(124)125)31-30-109(47-73(122)123)32-33-111(55)49-75(126)127)76(128)93-26-4-2-8-61-80(132)104-59(10-6-28-95-86(90)91)78(130)98-45-69(116)102-66(43-72(120)121)84(136)108-64(82(134)106-61)41-53-15-21-57(113)22-16-53;/h11-22,55,58-66,112-113H,1-10,23-50H2,(H,92,114)(H,93,128)(H,97,129)(H,98,130)(H,100,117)(H,101,115)(H,102,116)(H,103,131)(H,104,132)(H,105,133)(H,106,134)(H,107,135)(H,108,136)(H,118,119)(H,120,121)(H,122,123)(H,124,125)(H,126,127)(H4,88,89,94)(H4,90,91,95)(H2,96,99,140);/q;+3/p-3/t55?,58-,59-,60-,61-,62-,63+,64-,65-,66+;/m0./s1/i;1-2

HIDE SMILES / InChI

Molecular Formula	Ga
Molecular Weight	67.928
Charge	3
Count

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

Molecular Formula	C87H125N24O28S
Molecular Weight	1987.132
Charge	-3
Count

Stereochemistry	EPIMERIC
Additional Stereochemistry	No
Defined Stereocenters	9 / 10
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 16:35:51 GMT 2023` Edited by `admin` on `Sat Dec 16 16:35:51 GMT 2023`
Record UNII	QY2HJ2U7WP
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BNOTA-PRGD2 GA-68

Common Name

English

(68GA)BNOTA-PRGD2

Common Name

English

68GA-BNOTA-PRGD 2

Common Name

English

GALLIUM GA 68-LABELED BNOTA-PRGD2

Common Name

English

68GA-PRGD2

Common Name

English

GALLATE(2-)-68GA, ((5,5'-(N-(1-OXO-13-THIOXO-13-((4-((1,4,7-TRIS((CARBOXY-.KAPPA.O)METHYL)OCTAHYDRO-1H-1,4,7-TRIAZONIN-2-YL-.KAPPA.N1,.KAPPA.N4,.KAPPA.N7)METHYL)PHENYL)AMINO)-3,6,9-TRIOXA-12-AZATRIDEC-1-YL)-L-GLUTAMOYL)BIS(CYCLO(L-ARGINYLGLYCYL-L-.ALPHA.

Systematic Name

English

(68GA)NOTA-PRGD2

Common Name

English

Code System Code Type Description

FDA UNII

QY2HJ2U7WP

Created by admin on Sat Dec 16 16:35:51 GMT 2023 , Edited by admin on Sat Dec 16 16:35:51 GMT 2023

PRIMARY

PUBCHEM

154731647

Created by admin on Sat Dec 16 16:35:51 GMT 2023 , Edited by admin on Sat Dec 16 16:35:51 GMT 2023

PRIMARY

NCI_THESAURUS

C99904

Created by admin on Sat Dec 16 16:35:51 GMT 2023 , Edited by admin on Sat Dec 16 16:35:51 GMT 2023

PRIMARY

CAS

1345968-02-6

Created by admin on Sat Dec 16 16:35:51 GMT 2023 , Edited by admin on Sat Dec 16 16:35:51 GMT 2023

PRIMARY

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					QY2HJ2U7WP

BNOTA-PRGD2 GA-68

ACTIVE MOIETY

Comments:

Official Title: 68Ga-BNOTA-PRGD2 PET/CT in Evaluation of Angiogenesis Following Stroke Purpose: This is an open-label brain PET/CT (positron emission tomography/computed tomography) study to investigate the diagnostic performance of 68Ga-BNOTA-PRGD2 in evaluation of stroke patients in convalescence. A single dose of nearly 111 MBq 68Ga-BNOTA-PRGD2 ( 40 undefinedg BNOTA-PRGD2) will be intravenously injected into the patients. Visual and semi-quantitative method will be used to assess the PET/CT images. Changes of 18F-FDG PET/CT, enhanced brain MRI or CT, and any adverse events will be collected from the patients.