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Chemistry

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Also known as: 161982-62-3, P829, Ndp0h8e844, P-829, Depreotide [usan], Depreotide [usan:inn]
Molecular Formula
C65H96N16O12S2
Molecular Weight
1357.7  g/mol
InChI Key
XXXSJQLZVNKRKX-YQRDHHIGSA-N
FDA UNII
NDP0H8E844

P 829
Depreotide is an ingredient in the EMA-withdrawn product NeoSpect.
1 2D Structure

P 829

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(2S)-6-amino-2-[[(2R)-2-[[(2S)-6-amino-2-[[(2S)-2-amino-3-[[2-[2-[(2S,5S,8S,11R,14S,17S)-14-(4-aminobutyl)-5-benzyl-8-[(4-hydroxyphenyl)methyl]-11-(1H-indol-3-ylmethyl)-4-methyl-3,6,9,12,15,18-hexaoxo-17-propan-2-yl-1,4,7,10,13,16-hexazacyclooctadec-2-yl]ethylsulfanyl]acetyl]amino]propanoyl]amino]hexanoyl]amino]-3-sulfanylpropanoyl]amino]hexanamide
2.1.2 InChI
InChI=1S/C65H96N16O12S2/c1-38(2)55-64(92)76-49(26-30-95-37-54(83)72-35-44(69)57(85)74-47(20-10-13-28-67)58(86)79-52(36-94)62(90)73-46(56(70)84)19-9-12-27-66)65(93)81(3)53(32-39-15-5-4-6-16-39)63(91)78-50(31-40-22-24-42(82)25-23-40)60(88)77-51(33-41-34-71-45-18-8-7-17-43(41)45)61(89)75-48(59(87)80-55)21-11-14-29-68/h4-8,15-18,22-25,34,38,44,46-53,55,71,82,94H,9-14,19-21,26-33,35-37,66-69H2,1-3H3,(H2,70,84)(H,72,83)(H,73,90)(H,74,85)(H,75,89)(H,76,92)(H,77,88)(H,78,91)(H,79,86)(H,80,87)/t44-,46-,47-,48-,49-,50-,51+,52-,53-,55-/m0/s1
2.1.3 InChI Key
XXXSJQLZVNKRKX-YQRDHHIGSA-N
2.1.4 Canonical SMILES
CC(C)C1C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CCCCN)CC2=CNC3=CC=CC=C32)CC4=CC=C(C=C4)O)CC5=CC=CC=C5)C)CCSCC(=O)NCC(C(=O)NC(CCCCN)C(=O)NC(CS)C(=O)NC(CCCCN)C(=O)N)N
2.1.5 Isomeric SMILES
CC(C)[C@H]1C(=O)N[C@H](C(=O)N([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)CC5=CC=CC=C5)C)CCSCC(=O)NC[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCCN)C(=O)N)N
2.2 Other Identifiers
2.2.1 UNII
NDP0H8E844
2.3 Synonyms
2.3.1 MeSH Synonyms

1. Lys-cys-lys-(beta-dap)-ch2co-s-cyclo(hcys-(n-me)phe-tyr-trp-lys-val)

2. Lysyl-cysteinyl-lysyl-(beta-dap) Cyclo(homocysteinyl-(n-methyl)phenylalanyl-tyrosyl-tryptophyl-lysyl-valyl)thiomethyl Ketone

3. P 829

4. P-829

5. P829 Cpd

2.3.2 Depositor-Supplied Synonyms

1. 161982-62-3

2. P829

3. Ndp0h8e844

4. P-829

5. Depreotide [usan]

6. Depreotide [usan:inn]

7. Unii-ndp0h8e844

8. Depreotide [mi]

9. Depreotide [inn]

10. P829 Cpd

11. Depreotide (usan/inn)

12. P 829

13. Depreotide [who-dd]

14. Schembl456503

15. Chembl1908335

16. Chebi:135908

17. Dtxsid301026951

18. Db11628

19. Hy-114133

20. Cs-0069943

21. D03687

22. Q27284812

23. Lys-cys-lys-(beta-dap)-ch2co-s-cyclo(hcys-(n-me)phe-tyr-trp-lys-val)

24. (2s)-6-amino-2-[[(2r)-2-[[(2s)-6-amino-2-[[(2s)-2-amino-3-[[2-[2-[(2s,5s,8s,11r,14s,17s)-14-(4-aminobutyl)-5-benzyl-8-[(4-hydroxyphenyl)methyl]-11-(1h-indol-3-ylmethyl)-4-methyl-3,6,9,12,15,18-hexaoxo-17-propan-2-yl-1,4,7,10,13,16-hexazacyclooctadec-2-yl]ethylsulfanyl]acetyl]amino]propanoyl]amino]hexanoyl]amino]-3-sulfanylpropanoyl]amino]hexanamide

25. Cyclo(l-homocysteinyl-n-methyl-l-phenylalanyl-l-tyrosyl-d-tryptophyl-l-lysyl-l-valyl) (1->1')-sulfide With 3-((mercaptoacetyl)amino)-l-alanyl-l-lysyl-l-cysteinyl-l-lysinamide

26. Cyclo(l-homocysteinyl-n-methyl-l-phenylalanyl-l-tyrosyl-d-tryptophyl-l-lysyl-l-valyl) (1->1')-sulphide With 3-((mercaptoacetyl)amino)-l-alanyl-l-lysyl-l-cysteinyl-l-lysinamide

27. Cyclo(l-homocysteinyl-n-methyl-l-phenylalanyl-l-tyrosyl-d-tryptophyl-l-lysyl-l-valyl) (1-1')-sulfide With 3-((mercaptoacetyl)amino)-l-alanyl-l-lysyl-l-cysteinyl-l-lysinamide

28. Cyclo(l-homocysteinyl-n-methyl-l-phenylalanyl-l-tyrosyl-d-tryptophyl-l-lysyl-l-valyl), (1->1')-sulfide With 3-(2-mercaptoacetamido)-l-alanyl-l-lysyl-l-cysteinyl-l-lysinamide

29. Cyclo(l-homocysteinyl-n-methyl-l-phenylalanyl-l-tyrosyl-d-tryptophyl-l-lysyl-l-valyl), (1->1')-sulphide With 3-(2-mercaptoacetamido)-l-alanyl-l-lysyl-l-cysteinyl-l-lysinamide

30. Cyclo(l-homocysteinyl-n-methyl-l-phenylalanyl-l-tyrosyl-d-tryptophyl-l-lysyl-l-valyl), (1-1')-sulfide With 3-(2-mercaptoacetamido)-l-alanyl-l-lysyl-l-cysteinyl-l-lysinamide

31. Cyclo(l-homocysteinyl-n-methyl-l-phenylalanyl-l-tyrosyl-d-tryptophyl-l-lysyl-l-valyl), (1-1')-thioether With 3-((mercaptoacetyl)amino)-l-alanyl-l-lysyl-l-cysteinyl-l-lysinamide

32. Lysyl-cysteinyl-lysyl-(beta-dap) Cyclo(homocysteinyl-(n-methyl)phenylalanyl-tyrosyl-tryptophyl-lysyl-valyl)thiomethyl Ketone

2.4 Create Date
2006-10-25
3 Chemical and Physical Properties
Molecular Weight 1357.7 g/mol
Molecular Formula C65H96N16O12S2
XLogP30.6
Hydrogen Bond Donor Count17
Hydrogen Bond Acceptor Count18
Rotatable Bond Count34
Exact Mass1356.68350491 g/mol
Monoisotopic Mass1356.68350491 g/mol
Topological Polar Surface Area492 Ų
Heavy Atom Count95
Formal Charge0
Complexity2490
Isotope Atom Count0
Defined Atom Stereocenter Count10
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
4 Drug and Medication Information
4.1 Drug Indication

This medicinal product is for diagnostic use only.

For scintigraphic imaging of suspected malignant tumours in the lung after initial detection, in

combination with CT scan or chest X-ray, in patients with solitary pulmonary nodules.


5 Pharmacology and Biochemistry
5.1 ATC Code

V09IA05


REF. STANDARDS & IMPURITIES

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API | Excipient name

P 829

Synonyms

161982-62-3, P829, Ndp0h8e844, P-829, Depreotide [usan], Depreotide [usan:inn]

Cas Number

161982-62-3

Unique Ingredient Identifier (UNII)

NDP0H8E844

About P 829

Depreotide is an ingredient in the EMA-withdrawn product NeoSpect.

P 829 Manufacturers

A P 829 manufacturer is defined as any person or entity involved in the manufacture, preparation, processing, compounding or propagation of P 829, including repackagers and relabelers. The FDA regulates P 829 manufacturers to ensure that their products comply with relevant laws and regulations and are safe and effective to use. P 829 API Manufacturers are required to adhere to Good Manufacturing Practices (GMP) to ensure that their products are consistently manufactured to meet established quality criteria.

P 829 Suppliers

A P 829 supplier is an individual or a company that provides P 829 active pharmaceutical ingredient (API) or P 829 finished formulations upon request. The P 829 suppliers may include P 829 API manufacturers, exporters, distributors and traders.

P 829 GMP

P 829 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 P 829 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 P 829 GMP manufacturer or P 829 GMP API supplier for your needs.

P 829 CoA

A P 829 CoA (Certificate of Analysis) is a formal document that attests to P 829's compliance with P 829 specifications and serves as a tool for batch-level quality control.

P 829 CoA mostly includes findings from lab analyses of a specific batch. For each P 829 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.

P 829 may be tested according to a variety of international standards, such as European Pharmacopoeia (P 829 EP), P 829 JP (Japanese Pharmacopeia) and the US Pharmacopoeia (P 829 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.
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