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Lutetium-177-edotreotide

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Also known as: Dotatoc lu-177, (177ludota)-toc, Lutetium lu 177-edotreotide, Lutetium lu-177-edotreotide, Rgo812q0c8, Lutetium lu-177 dota-tyr3-octreotide

Molecular Formula

C₆₅H₈₉LuN₁₄O₁₈S₂

Molecular Weight

1595.6 g/mol

InChI Key

XOPYQJXRGHFPOH-NZMVMCJSSA-K

FDA UNII

RGO812Q0C8

Lutetium Lu 177-Edotreotide is a radioconjugate consisting of the somatostatin analogue edotreotide labeled with lutetium Lu 177 with potential antineoplastic activities. Lutetium Lu 177-edotreotide binds to somatostatin receptors (SSTRs), with high affinity to type 2 SSTR, present on the cell membranes of many types of neuroendocrine tumor cells. Upon binding and internalization, this radioconjugate specifically delivers a cytotoxic dose of beta radiation to SSTR-positive cells. Edotreotide is produced by substituting tyrosine for phenylalanine at the 3 position of the somatostatin analogue octreotide (Tyr3-octreotide or TOC) and chelated by the bifunctional, macrocyclic chelating agent dodecanetetraacetic acid (DOTA).

1 2D Structure

Lutetium-177-edotreotide

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-[4-[2-[[(2R)-1-[[(4R,7S,10S,13R,16S,19R)-10-(4-aminobutyl)-4-[[(2R,3R)-1,3-dihydroxybutan-2-yl]carbamoyl]-7-[(1R)-1-hydroxyethyl]-16-[(4-hydroxyphenyl)methyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicos-19-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]-7,10-bis(carboxylatomethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate;lutetium-177(3+)

2.1.2 InChI

InChI=1S/C65H92N14O18S2.Lu/c1-39(81)51(36-80)72-64(96)53-38-99-98-37-52(73-60(92)48(28-41-10-4-3-5-11-41)68-54(84)32-76-20-22-77(33-55(85)86)24-26-79(35-57(89)90)27-25-78(23-21-76)34-56(87)88)63(95)70-49(29-42-15-17-44(83)18-16-42)61(93)71-50(30-43-31-67-46-13-7-6-12-45(43)46)62(94)69-47(14-8-9-19-66)59(91)75-58(40(2)82)65(97)74-53;/h3-7,10-13,15-18,31,39-40,47-53,58,67,80-83H,8-9,14,19-30,32-38,66H2,1-2H3,(H,68,84)(H,69,94)(H,70,95)(H,71,93)(H,72,96)(H,73,92)(H,74,97)(H,75,91)(H,85,86)(H,87,88)(H,89,90);/q;+3/p-3/t39-,40-,47+,48-,49+,50-,51-,52+,53+,58+;/m1./s1/i;1+2

2.1.3 InChI Key

XOPYQJXRGHFPOH-NZMVMCJSSA-K

2.1.4 Canonical SMILES

CC(C1C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CCCCN)CC2=CNC3=CC=CC=C32)CC4=CC=C(C=C4)O)NC(=O)C(CC5=CC=CC=C5)NC(=O)CN6CCN(CCN(CCN(CC6)CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])C(=O)NC(CO)C(C)O)O.[Lu+3]

2.1.5 Isomeric SMILES

C[C@H]([C@H]1C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N1)CCCCN)CC2=CNC3=CC=CC=C32)CC4=CC=C(C=C4)O)NC(=O)[C@@H](CC5=CC=CC=C5)NC(=O)CN6CCN(CCN(CCN(CC6)CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])C(=O)N[C@H](CO)[C@@H](C)O)O.[177Lu+3]

2.2 Other Identifiers

2.2.1 UNII

RGO812Q0C8

2.3 Synonyms

2.3.1 MeSH Synonyms

1. (177)lu-dotatoc

2. (177ludota)-toc

2.3.2 Depositor-Supplied Synonyms

1. Dotatoc Lu-177

2. (177ludota)-toc

3. Lutetium Lu 177-edotreotide

4. Lutetium Lu-177-edotreotide

5. Rgo812q0c8

6. Lutetium Lu-177 Dota-tyr3-octreotide

7. 321835-55-6

8. Lutetium Lu177 Edotreotide

9. Unii-rgo812q0c8

10. Lutetium Lu177 Edotreotide [usan]

11. Who 12604

12. Lutetium (177lu) Edotreotide [who-dd]

2.4 Create Date

2013-06-10

3 Chemical and Physical Properties

Molecular Formula	C₆₅H₈₉LuN₁₄O₁₈S₂
Molecular Weight	1595.6 g/mol
Hydrogen Bond Donor Count	14
Hydrogen Bond Acceptor Count	25
Rotatable Bond Count	23
Exact Mass	1594.53583 g/mol
Monoisotopic Mass	1594.53583 g/mol
Topological Polar Surface Area	540 Å²
Heavy Atom Count	100
Formal Charge	0
Complexity	2600
Isotope Atom Count	1
Defined Atom Stereocenter Count	10
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2

4 Pharmacology and Biochemistry

4.1 MeSH Pharmacological Classification

Radiopharmaceuticals

Compounds that are used in medicine as sources of radiation for radiotherapy and for diagnostic purposes. They have numerous uses in research and industry. (Martindale, The Extra Pharmacopoeia, 30th ed, p1161) (See all compounds classified as Radiopharmaceuticals.)

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Lutetium-177-edotreotide Manufacturers

A Lutetium-177-edotreotide manufacturer is defined as any person or entity involved in the manufacture, preparation, processing, compounding or propagation of Lutetium-177-edotreotide, including repackagers and relabelers. The FDA regulates Lutetium-177-edotreotide manufacturers to ensure that their products comply with relevant laws and regulations and are safe and effective to use. Lutetium-177-edotreotide API Manufacturers are required to adhere to Good Manufacturing Practices (GMP) to ensure that their products are consistently manufactured to meet established quality criteria.

Lutetium-177-edotreotide Suppliers

A Lutetium-177-edotreotide supplier is an individual or a company that provides Lutetium-177-edotreotide active pharmaceutical ingredient (API) or Lutetium-177-edotreotide finished formulations upon request. The Lutetium-177-edotreotide suppliers may include Lutetium-177-edotreotide API manufacturers, exporters, distributors and traders.

Lutetium-177-edotreotide GMP

Lutetium-177-edotreotide Active pharmaceutical ingredient (API) is produced in GMP-certified manufacturing facility.

GMP stands for Good Manufacturing Practices, which is a system used in the pharmaceutical industry to make sure that goods are regularly produced and monitored in accordance with quality standards. The FDA’s current Good Manufacturing Practices requirements are referred to as cGMP or current GMP which indicates that the company follows the most recent GMP specifications. The World Health Organization (WHO) has its own set of GMP guidelines, called the WHO GMP. Different countries can also set their own guidelines for GMP like China (Chinese GMP) or the EU (EU GMP).

PharmaCompass offers a list of Lutetium-177-edotreotide GMP manufacturers, exporters & distributors, which can be sorted by USDMF, JDMF, KDMF, CEP (COS), WC, API price, and more, enabling you to easily find the right Lutetium-177-edotreotide GMP manufacturer or Lutetium-177-edotreotide GMP API supplier for your needs.

Lutetium-177-edotreotide CoA

A Lutetium-177-edotreotide CoA (Certificate of Analysis) is a formal document that attests to Lutetium-177-edotreotide's compliance with Lutetium-177-edotreotide specifications and serves as a tool for batch-level quality control.

Lutetium-177-edotreotide CoA mostly includes findings from lab analyses of a specific batch. For each Lutetium-177-edotreotide CoA document that a company creates, the USFDA specifies specific requirements, such as supplier information, material identification, transportation data, evidence of conformity and signature data.

Lutetium-177-edotreotide may be tested according to a variety of international standards, such as European Pharmacopoeia (Lutetium-177-edotreotide EP), Lutetium-177-edotreotide JP (Japanese Pharmacopeia) and the US Pharmacopoeia (Lutetium-177-edotreotide USP).

Inform the supplier about your product requirements, specifying if you need a product with particular monograph like EP (Ph. Eur.), USP, JP, BP, or any other quality. In addition, clarify whether you need hydrochloride (HCl), anhydricum, base, micronisatum or a specific level of purity. To find reputable suppliers, utilize the filters and select those certified by GMP, FDA, or any other certification as per your requirement.
For your convenience, we have listed synonyms and CAS numbers to help you find the best supplier. The use of synonyms and CAS numbers can be helpful in identifying potential suppliers, but it is crucial to note that they might not always indicate the exact same product. It is important to confirm the product details with the supplier before making a purchase to ensure that it meets your requirements.