U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C65H87N14O19S2.Lu
Molecular Weight 1609.542
Optical Activity UNSPECIFIED
Defined Stereocenters 10 / 10
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of LUTETIUM OXODOTREOTIDE LU-177

SMILES

[177Lu+3].CC(O)[C@H](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(O)=O

InChI

InChIKey=MXDPZUIOZWKRAA-PRDSJKGBSA-K
InChI=1S/C65H90N14O19S2.Lu/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;+3/p-3/t38-,39-,46+,47-,48+,49-,50+,51+,56+,57+;/m1./s1/i;1+2

HIDE SMILES / InChI
Molecular Formula C65H87N14O19S2
Molecular Weight 1432.599
Charge -3
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 10 / 10
E/Z Centers 1
Optical Activity UNSPECIFIED
Molecular Formula Lu
Molecular Weight 176.9438
Charge 3
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Unknown
86413
Substance Class Chemical
Created
by admin
on Sat Dec 16 05:01:22 UTC 2023
Edited
by admin
on Sat Dec 16 05:01:22 UTC 2023
Record UNII
AE221IM3BB
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
LUTETIUM OXODOTREOTIDE LU-177
Common Name English
LUTETATE(1-)-177LU, (N-((4,7,10-TRIS((CARBOXY-.KAPPA.O)METHYL)-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 CYCLIC (2-7)-DIS
Systematic Name English
LUTETIUM LU 177 DOTATATE
Common Name English
177LU-DOTATATE
Common Name English
LUTETIUM DOTATATE LU-177 [ORANGE BOOK]
Common Name English
(177)LU-DOTATATE
Common Name English
LUTETIUM (177LU) OXODOTREOTIDE
INN  
INN  
Official Name English
LUTETIUM (177LU) OXODOTREOTIDE [MI]
Common Name English
LUTETIUM-177(3+), S2,S7-CYCLO(N-(4,7,10-TRICARBOXYMETHYL-1,4,7,10-TETRAAZA-CYCLODODECAN-1-YL-ACETYL)-4-CHLORO-L-PHENYLALANYL-D-CYSTEINYL-4-((4S)-2,6-DIOXO-1,3-DIAZINANE-4-CARBOXAMIDO)-L-PHENYLALANYL-4-(CARBAMOYLAMINO)-D-PHENYLALANYL-L-LYSYL-L-THREONYL-L-
Systematic Name English
((177)LU-DOTA(0)-TYR(3))-OCTREOTATE
Common Name English
lutetium (¹⁷⁷Lu) oxodotreotide [INN]
Common Name English
LUTETIUM DOTATATE LU-177
Common Name English
LUTATHERA
Brand Name English
OXODOTREOTIDE LUTETIUM, LU-177
Common Name English
DOTATATE LUTETIUM LU-177
Common Name English
177LU-DOTA-TYR3-OCTREOTATE
Common Name English
LUTETIUM LU-177 DOTATATE
Common Name English
DOTA-OCTREOTATE LUTETIUM LU-177
Common Name English
OXODOTREOTIDE LUTETIUM LU-177
Common Name English
LUTETIUM DOTATATE, LU-177
Common Name English
Lutetium (177Lu) dotatate [WHO-DD]
Common Name English
DOTATATE LUTENIUM LU-177
Common Name English
Classification Tree Code System Code
FDA ORPHAN DRUG 271008
Created by admin on Sat Dec 16 05:01:22 UTC 2023 , Edited by admin on Sat Dec 16 05:01:22 UTC 2023
NCI_THESAURUS C129819
Created by admin on Sat Dec 16 05:01:22 UTC 2023 , Edited by admin on Sat Dec 16 05:01:22 UTC 2023
EU-Orphan Drug EU/3/07/523
Created by admin on Sat Dec 16 05:01:22 UTC 2023 , Edited by admin on Sat Dec 16 05:01:22 UTC 2023
NCI_THESAURUS C2124
Created by admin on Sat Dec 16 05:01:22 UTC 2023 , Edited by admin on Sat Dec 16 05:01:22 UTC 2023
WHO-ATC V10XX04
Created by admin on Sat Dec 16 05:01:22 UTC 2023 , Edited by admin on Sat Dec 16 05:01:22 UTC 2023
Code System Code Type Description
DAILYMED
AE221IM3BB
Created by admin on Sat Dec 16 05:01:22 UTC 2023 , Edited by admin on Sat Dec 16 05:01:22 UTC 2023
PRIMARY
INN
10470
Created by admin on Sat Dec 16 05:01:22 UTC 2023 , Edited by admin on Sat Dec 16 05:01:22 UTC 2023
PRIMARY
EVMPD
SUB180110
Created by admin on Sat Dec 16 05:01:22 UTC 2023 , Edited by admin on Sat Dec 16 05:01:22 UTC 2023
PRIMARY
LACTMED
Lutetium Lu 177 Dotatate
Created by admin on Sat Dec 16 05:01:22 UTC 2023 , Edited by admin on Sat Dec 16 05:01:22 UTC 2023
PRIMARY
MERCK INDEX
m12054
Created by admin on Sat Dec 16 05:01:22 UTC 2023 , Edited by admin on Sat Dec 16 05:01:22 UTC 2023
PRIMARY
CAS
437608-50-9
Created by admin on Sat Dec 16 05:01:22 UTC 2023 , Edited by admin on Sat Dec 16 05:01:22 UTC 2023
PRIMARY
PUBCHEM
76966897
Created by admin on Sat Dec 16 05:01:22 UTC 2023 , Edited by admin on Sat Dec 16 05:01:22 UTC 2023
PRIMARY
SMS_ID
100000166133
Created by admin on Sat Dec 16 05:01:22 UTC 2023 , Edited by admin on Sat Dec 16 05:01:22 UTC 2023
PRIMARY
RXCUI
1999335
Created by admin on Sat Dec 16 05:01:22 UTC 2023 , Edited by admin on Sat Dec 16 05:01:22 UTC 2023
PRIMARY
DRUG CENTRAL
5275
Created by admin on Sat Dec 16 05:01:22 UTC 2023 , Edited by admin on Sat Dec 16 05:01:22 UTC 2023
PRIMARY
NCI_THESAURUS
C95020
Created by admin on Sat Dec 16 05:01:22 UTC 2023 , Edited by admin on Sat Dec 16 05:01:22 UTC 2023
PRIMARY
EPA CompTox
DTXSID20195927
Created by admin on Sat Dec 16 05:01:22 UTC 2023 , Edited by admin on Sat Dec 16 05:01:22 UTC 2023
PRIMARY
DRUG BANK
DB13985
Created by admin on Sat Dec 16 05:01:22 UTC 2023 , Edited by admin on Sat Dec 16 05:01:22 UTC 2023
PRIMARY
FDA UNII
AE221IM3BB
Created by admin on Sat Dec 16 05:01:22 UTC 2023 , Edited by admin on Sat Dec 16 05:01:22 UTC 2023
PRIMARY
CAS
753443-19-5
Created by admin on Sat Dec 16 05:01:22 UTC 2023 , Edited by admin on Sat Dec 16 05:01:22 UTC 2023
ALTERNATIVE
Related Record Type Details
SOMATOSTATIN RECEPTOR TYPE 2
TARGET->RADIOLIGAND
Lutetium Lu 177 dotatate binds to somatostatin receptors with highest affinity for subtype 2 receptors (SSRT2). Upon binding to somatostatin receptor expressing cells, including malignant somatostatin receptor-positive tumors, the compound is internalized. The beta emission from Lu 177 induces cellular damage by formation of free radicals in somatostatin receptor-positive cells and in neighboring cells.
PLASMA PROTEIN FRACTION (HUMAN)
BINDER->LIGAND
BINDING
Structure of OXODOTREOTIDE
PARENT -> SALT/SOLVATE
Related Record Type Details
Structure of LUTETIUM OXODOTREOTIDE LU-177
ACTIVE MOIETY
Name Property Type Amount Referenced Substance Defining Parameters References
Biological Half-life PHARMACOKINETIC
Volume of Distribution PHARMACOKINETIC COMMENTS
PHARMACOKINETIC
NIH
NCATS
PRIVACY ACT
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966