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Chemistry

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Also known as: Astx660, 1799328-86-1, Astx-660, Tolinapant, Astx 660, 2lhz9zc3yo
Molecular Formula
C30H42FN5O3
Molecular Weight
539.7  g/mol
InChI Key
YCXOHEXZVKOGEV-DNRQZRRGSA-N
FDA UNII
2LHZ9ZC3YO

Tolinapant
Tolinapant is an orally bioavailable, non-peptidomimetic antagonist of both X chromosome-linked inhibitor of apoptosis protein (XIAP) and cellular IAP 1 (cIAP1), with potential antineoplastic and pro-apoptotic activities. Upon administration, tolinapant selectively binds to and inhibits the activity of XIAP and cIAP1. This restores and promotes the induction of apoptotic signaling pathways in cancer cells, and inactivates the nuclear factor-kappa B (NF-kB)-mediated survival pathway. XIAP and cIAP1 are overexpressed by many cancer cell types and suppress apoptosis by inhibiting the activity of certain caspases; they promote both cancer cell survival and chemotherapy resistance.
1 2D Structure

Tolinapant

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1-[6-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl]-2-[(2R,5R)-5-methyl-2-[[(3R)-3-methylmorpholin-4-yl]methyl]piperazin-1-yl]ethanone
2.1.2 InChI
InChI=1S/C30H42FN5O3/c1-20-14-35(25(13-32-20)15-34-9-10-39-18-21(34)2)16-28(38)36-19-30(3,4)29-27(36)12-23(26(17-37)33-29)11-22-5-7-24(31)8-6-22/h5-8,12,20-21,25,32,37H,9-11,13-19H2,1-4H3/t20-,21-,25-/m1/s1
2.1.3 InChI Key
YCXOHEXZVKOGEV-DNRQZRRGSA-N
2.1.4 Canonical SMILES
CC1CN(C(CN1)CN2CCOCC2C)CC(=O)N3CC(C4=C3C=C(C(=N4)CO)CC5=CC=C(C=C5)F)(C)C
2.1.5 Isomeric SMILES
C[C@@H]1CN([C@H](CN1)CN2CCOC[C@H]2C)CC(=O)N3CC(C4=C3C=C(C(=N4)CO)CC5=CC=C(C=C5)F)(C)C
2.2 Other Identifiers
2.2.1 UNII
2LHZ9ZC3YO
2.3 Synonyms
2.3.1 MeSH Synonyms

1. Astx-660

2. Astx660

3. Ethanone, 1-(6-((4-fluorophenyl)methyl)-2,3-dihydro-5-(hydroxymethyl)-3,3-dimethyl-1h-pyrrolo(3,2-b)pyridin-1-yl)-2-((2r,5r)-5-methyl-2-(((3r)-3-methyl-4-morpholinyl)methyl)-1-piperazinyl)-

2.3.2 Depositor-Supplied Synonyms

1. Astx660

2. 1799328-86-1

3. Astx-660

4. Tolinapant

5. Astx 660

6. 2lhz9zc3yo

7. Astx 660 [who-dd]

8. Chembl4173974

9. 1799328-86-1 (free Base)

10. 1-(6-(4-fluorobenzyl)-5-(hydroxymethyl)-3,3-dimethyl-2,3-dihydro-1h-pyrrolo[3,2-b]pyridin-1-yl)-2-((2r,5r)-5-methyl-2-(((r)-3-methylmorpholino)methyl)piperazin-1-yl)ethanone

11. Ethanone, 1-(6-((4-fluorophenyl)methyl)-2,3-dihydro-5-(hydroxymethyl)-3,3-dimethyl-1h-pyrrolo(3,2-b)pyridin-1-yl)-2-((2r,5r)-5-methyl-2-(((3r)-3-methyl-4-morpholinyl)methyl)-1-piperazinyl)-

12. Tolinapant [inn]

13. Unii-2lhz9zc3yo

14. Schembl16830758

15. Tqp0801

16. Astx660; Astx 660

17. Bcp28730

18. Ex-a2904

19. Bdbm50450046

20. Nsc804861

21. S8681

22. Cs-8216

23. Nsc-804861

24. Ac-36446

25. Ba166845

26. Hy-109565

27. A16996

28. 1-[6-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)-3,3-dimethyl-2h-pyrrolo[3,2-b]pyridin-1-yl]-2-[(2r,5r)-5-methyl-2-[[(3r)-3-methylmorpholin-4-yl]methyl]piperazin-1-yl]ethanone

2.4 Create Date
2016-02-23
3 Chemical and Physical Properties
Molecular Weight 539.7 g/mol
Molecular Formula C30H42FN5O3
XLogP32.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Exact Mass539.32716838 g/mol
Monoisotopic Mass539.32716838 g/mol
Topological Polar Surface Area81.2 Ų
Heavy Atom Count39
Formal Charge0
Complexity824
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

ABOUT THIS PAGE

Looking for 1799328-86-1 / Tolinapant API manufacturers, exporters & distributors?

Tolinapant manufacturers, exporters & distributors 1

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

Send us enquiries for free, and we will assist you in establishing a direct connection with your preferred Tolinapant manufacturer or Tolinapant supplier.

PharmaCompass also assists you with knowing the Tolinapant API Price utilized in the formulation of products. Tolinapant API Price is not always fixed or binding as the Tolinapant Price is obtained through a variety of data sources. The Tolinapant Price can also vary due to multiple factors, including market conditions, regulatory modifications, or negotiated pricing deals.

API | Excipient name

Tolinapant

Synonyms

Astx660, 1799328-86-1, Astx-660, Astx 660, 2lhz9zc3yo, Astx 660 [who-dd]

Cas Number

1799328-86-1

Unique Ingredient Identifier (UNII)

2LHZ9ZC3YO

About Tolinapant

Tolinapant is an orally bioavailable, non-peptidomimetic antagonist of both X chromosome-linked inhibitor of apoptosis protein (XIAP) and cellular IAP 1 (cIAP1), with potential antineoplastic and pro-apoptotic activities. Upon administration, tolinapant selectively binds to and inhibits the activity of XIAP and cIAP1. This restores and promotes the induction of apoptotic signaling pathways in cancer cells, and inactivates the nuclear factor-kappa B (NF-kB)-mediated survival pathway. XIAP and cIAP1 are overexpressed by many cancer cell types and suppress apoptosis by inhibiting the activity of certain caspases; they promote both cancer cell survival and chemotherapy resistance.

Tolinapant Manufacturers

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

Tolinapant Suppliers

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

Tolinapant GMP

Tolinapant 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 Tolinapant 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 Tolinapant GMP manufacturer or Tolinapant GMP API supplier for your needs.

Tolinapant CoA

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

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

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