PENTETREOTIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C63H87N13O19S2
Molecular Weight	1394.571
Optical Activity	UNSPECIFIED
Defined Stereocenters	10 / 10
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]1(NC(=O)[C@H](CCCCN)NC(=O)[C@@H](CC2=CNC3=C2C=CC=C3)NC(=O)[C@H](CC4=CC=CC=C4)NC(=O)[C@H](CSSC[C@H](NC1=O)C(=O)N[C@H](CO)[C@@H](C)O)NC(=O)[C@@H](CC5=CC=CC=C5)NC(=O)CN(CCN(CCN(CC(O)=O)CC(O)=O)CC(O)=O)CC(O)=O)[C@@H](C)O

InChI

InChIKey=CNLWNYCFDMAZCB-HUVROIHYSA-N

InChI=1S/C63H87N13O19S2/c1-37(78)48(34-77)70-62(94)50-36-97-96-35-49(71-58(90)45(25-39-13-5-3-6-14-39)66-51(80)29-75(31-53(83)84)23-21-74(30-52(81)82)22-24-76(32-54(85)86)33-55(87)88)61(93)68-46(26-40-15-7-4-8-16-40)59(91)69-47(27-41-28-65-43-18-10-9-17-42(41)43)60(92)67-44(19-11-12-20-64)57(89)73-56(38(2)79)63(95)72-50/h3-10,13-18,28,37-38,44-50,56,65,77-79H,11-12,19-27,29-36,64H2,1-2H3,(H,66,80)(H,67,92)(H,68,93)(H,69,91)(H,70,94)(H,71,90)(H,72,95)(H,73,89)(H,81,82)(H,83,84)(H,85,86)(H,87,88)/t37-,38-,44+,45-,46+,47-,48-,49+,50+,56+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C63H87N13O19S2
Molecular Weight	1394.571
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	10 / 10
E/Z Centers	1
Optical Activity	UNSPECIFIED

Description
Sources: https://dailymed.nlm.nih.gov/dailymed/drugInfo.cfm?setid=dc3845f8-2a8a-4692-b564-04c704d12cb9

Pentetic acid or diethylenetriaminepentaacetic acid (DTPA) is an aminopolycarboxylic acid consisting of a diethylenetriamine backbone with five carboxymethyl groups. The molecule can be viewed as an expanded version of EDTA and is used similarly. Pentetreotide is a modified DTPA attached to a peptide segment. Pentetreotide binds to somatostatin receptors on cell surfaces throughout the body. Indium 111 pentetreotide, is a diagnostic radiopharmaceutical.

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Somatostatin receptor 5 Target ID: CHEMBL2111436 Sources: https://www.drugs.com/mmx/indium-in-111-pentetreotide.html	Binding Agent 1064

Conditions

Condition	Modality	Targets	Highest Phase	Product
Unknown 2578

Patents

Sample Use Guides

In Vivo Use Guide

Unknown

Route of Administration: Unknown

In Vitro Use Guide

Unknown

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:38:51 UTC 2023` Edited by `admin` on `Fri Dec 15 15:38:51 UTC 2023`
Record UNII	G083B71P98
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

PENTETREOTIDE

Official Name

English

DTPA-SMS

Code

English

PENTETOREOTIDE [JAN]

Common Name

English

PENTETREOTIDE [JAN]

Common Name

English

SDZ-215-811S

Code

English

pentetreotide [INN]

Common Name

English

(-)-PENTETOREOTIDE

Common Name

English

SDZ-215-811

Code

English

SDZ 215-811

Code

English

SDZ 215-811S

Code

English

SDZ-215811

Code

English

N-(2-((2-(BIS(CARBOXYMETHYL)AMINO)ETHYL)(CARBOXYMETHYL)AMINO)ETHYL)-N-(CARBOXYMETHYL)GLYCYL-D-PHENYLALANYL-L-CYSTEINYL-L-PHENYLALANYL-D-TRYPTOPHYL-L-LYSYL-L-THREONYL-N-((1R,2R)-2-HYDROXY-1-(HYDROXYMETHYL)PROPYL)-L-CYSTEINAMIDE CYCLIC (3->8)-DISULFIDE

Common Name

English

PENTETOREOTIDE

Common Name

English

PENTETREOTIDE [MI]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C62799