COPPER OXODOTREOTIDE CU-64

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C65H88N14O19S2.Cu
Molecular Weight	1497.536
Optical Activity	UNSPECIFIED
Defined Stereocenters	10 / 10
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[64Cu++].[H][C@](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](CC2=CC=CC=C2)NC(=O)CN3CCN(CC([O-])=O)CCN(CC(O)=O)CCN(CC([O-])=O)CC3)C(=O)N[C@@H](CC4=CC=C(O)C=C4)C(=O)N[C@H](CC5=CNC6=C5C=CC=C6)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)([C@@H](C)O)C(O)=O

InChI

InChIKey=IJRLLVFQGCCPPI-NVGRTJHCSA-L

InChI=1S/C65H90N14O19S2.Cu/c1-38(80)56-64(96)73-51(63(95)75-57(39(2)81)65(97)98)37-100-99-36-50(72-59(91)47(28-40-10-4-3-5-11-40)68-52(83)32-76-20-22-77(33-53(84)85)24-26-79(35-55(88)89)27-25-78(23-21-76)34-54(86)87)62(94)70-48(29-41-15-17-43(82)18-16-41)60(92)71-49(30-42-31-67-45-13-7-6-12-44(42)45)61(93)69-46(58(90)74-56)14-8-9-19-66;/h3-7,10-13,15-18,31,38-39,46-51,56-57,67,80-82H,8-9,14,19-30,32-37,66H2,1-2H3,(H,68,83)(H,69,93)(H,70,94)(H,71,92)(H,72,91)(H,73,96)(H,74,90)(H,75,95)(H,84,85)(H,86,87)(H,88,89)(H,97,98);/q;+2/p-2/t38-,39-,46+,47-,48+,49-,50+,51+,56+,57+;/m1./s1/i;1+0

HIDE SMILES / InChI

Molecular Formula	Cu
Molecular Weight	63.9298
Charge	2
Count

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

Molecular Formula	C65H88N14O19S2
Molecular Weight	1433.607
Charge	-2
Count

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

Description
Sources: https://www.accessdata.fda.gov/drugsatfda_docs/label/2018/208700s000lbl.pdf | https://www.accessdata.fda.gov/drugsatfda_docs/label/2018/208547s011lbl.pdf

Dotatate, also known as DOTA-0-Tyr3-Octreotate, is a cyclic 8 amino acid peptide with a covalently bound chelator (dota). The peptide has the amino acid sequence: H-D-Phe-Cys-Tyr-D-Trp-Lys-ThrCys-Thr-OH, and contains one disulfide bond. After radiolabeling with Ga 68 (NETSPOT®) or with Lu 177 (LUTATHERA®), it is indicated for use with positron emission tomography (PET) for localization of somatostatin receptor positive neuroendocrine tumors (NETs) in adult and pediatric patients.

Approval Year

Conditions

Condition	Modality	Targets	Highest Phase	Product
Neuroendocrine tumors 5 Sources: https://www.accessdata.fda.gov/drugsatfda_docs/label/2018/208547s011lbl.pdf	Inactive ingredient		Approved 8429	NETSPOT Approved Use Netspot, after radiolabeling with Ga 68, is indicated for use with positron emission tomography (PET) for localization of somatostatin receptor positive neuroendocrine tumors (NETs) in adult and pediatric patients. Launch Date 2016

Substance Class	Chemical Created by `admin` on `Sat Dec 16 12:33:16 GMT 2023` Edited by `admin` on `Sat Dec 16 12:33:16 GMT 2023`
Record UNII	N3858377KC
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

COPPER OXODOTREOTIDE CU-64

Common Name

English

COPPER CU-64 DOTATATE

Common Name

English

COPPER DOTATATE CU-64

Common Name

English

64CU-DOTATATE

Common Name

English

Copper (64Cu) dotatate [WHO-DD]

Common Name

English

DETECTNET

Brand Name

English

CUPRATE(2-)-64CU, (N-(2-(4,10-BIS((CARBOXY-.KAPPA.O)METHYL)-7-(CARBOXYMETHYL)-1,4,7,10-TETRAAZACYCLODODEC-1-YL-.KAPPA.N1,.KAPPA.N4,.KAPPA.N7,.KAPPA.N10)ACETYL)-D-PHENYLALANYL-L-CYSTEINYL-L-TYROSYL-D-TRYPTOPHYL-L-LYSYL-L-THREONYL-L-CYSTEINYL-L-THREONINE C

Systematic Name

English

COPPER 64-DOTA-TATE

Common Name

English

COPPER DOTATATE CU-64 [ORANGE BOOK]

Common Name

English

COPPER (64CU) DOTATATE

Common Name

English

Classification Tree Code System Code

FDA ORPHAN DRUG

520716