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Chemistry

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Also known as: Patidegib, Ipi-926, 1037210-93-7, Ipi 926, Ip9 free base, Fin-5
Molecular Formula
C29H48N2O3S
Molecular Weight
504.8  g/mol
InChI Key
HZLFFNCLTRVYJG-WWGOJCOQSA-N
FDA UNII
JT96FPU35X

Patidegib
Patidegib is an orally bioavailable, cyclopamine-derived inhibitor of the Hedgehog (Hh) pathway with potential antineoplastic activity. Specifically, patidegib binds to and inhibits the cell membrane-spanning G-protein coupled receptor SMO, which may result in the suppression of Hh pathway signaling and a decrease in tumor cell proliferation and survival. SMO is activated upon binding of Hh ligand to the cell surface receptor Patched (PTCH); inappropriate activation of Hh signaling and uncontrolled cellular proliferation may be associated with SMO mutations. The Hh signaling pathway plays an important role in proliferation of neuronal precursor cells in the developing cerebellum and other tissues.
1 2D Structure

Patidegib

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
N-[(3R,3'R,3'aS,4aR,6'S,6aR,6bS,7'aR,9S,12aS,12bS)-3',6',11,12b-tetramethylspiro[1,2,3,4,4a,5,6,6a,6b,7,8,10,12,12a-tetradecahydronaphtho[2,1-a]azulene-9,2'-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridine]-3-yl]methanesulfonamide
2.1.2 InChI
InChI=1S/C29H48N2O3S/c1-17-12-26-27(30-16-17)19(3)29(34-26)11-9-22-23-7-6-20-13-21(31-35(5,32)33)8-10-28(20,4)25(23)14-24(22)18(2)15-29/h17,19-23,25-27,30-31H,6-16H2,1-5H3/t17-,19+,20+,21+,22-,23-,25-,26+,27-,28-,29-/m0/s1
2.1.3 InChI Key
HZLFFNCLTRVYJG-WWGOJCOQSA-N
2.1.4 Canonical SMILES
CC1CC2C(C(C3(O2)CCC4C5CCC6CC(CCC6(C5CC4=C(C3)C)C)NS(=O)(=O)C)C)NC1
2.1.5 Isomeric SMILES
C[C@H]1C[C@@H]2[C@H]([C@H]([C@]3(O2)CC[C@H]4[C@@H]5CC[C@@H]6C[C@@H](CC[C@@]6([C@H]5CC4=C(C3)C)C)NS(=O)(=O)C)C)NC1
2.2 Other Identifiers
2.2.1 UNII
JT96FPU35X
2.3 Synonyms
2.3.1 MeSH Synonyms

1. Ipi-926

2.3.2 Depositor-Supplied Synonyms

1. Patidegib

2. Ipi-926

3. 1037210-93-7

4. Ipi 926

5. Ip9 Free Base

6. Fin-5

7. Jt96fpu35x

8. Ipi-926 Free Base

9. Chembl538867

10. Ip-9

11. Patidegib (usan)

12. Patidegib [usan]

13. N-[(3r,3'r,3'as,4ar,6's,6ar,6bs,7'ar,9s,12as,12bs)-3',6',11,12b-tetramethylspiro[1,2,3,4,4a,5,6,6a,6b,7,8,10,12,12a-tetradecahydronaphtho[2,1-a]azulene-9,2'-3a,4,5,6,7,7a-hexahydro-3h-furo[3,2-b]pyridine]-3-yl]methanesulfonamide

14. N-((2s,3r,3as,3'r,4a'r,6s,6a'r,6b's,7ar,12a's,12b's)-3,6,11',12b'-tetramethyl-2',3a,3',4,4',4a',5,5',6,6',6a',6b',7,7a,7',8',10',12',12a',12b'-icosahydro-1'h,3h-spiro[furo[3,2-b]pyridine-2,9'-naphtho[2,1-a]azulen]-3'-yl)methanesulfonamide

15. Patidegib [usan:inn]

16. Unii-jt96fpu35x

17. Saridegib [rescinded Usan]

18. Patidegib [inn]

19. Patidegib [who-dd]

20. Schembl421999

21. Gtpl8198

22. Dtxsid40146032

23. Chebi:177425

24. Saridegib (ipi-926; Patidegib)

25. Who 9619

26. Bdbm50293788

27. Zinc43197072

28. Db12655

29. Hy-16587

30. Cs-0007501

31. D10324

32. Q15426668

33. Methanesulfonamide, N-((2s,3r,3'r,3as,4'ar,6s,6'ar,6'bs,7ar,12'as,12'bs)- 2',3',3a,4,4',4'a,5,5',6,6',6'a,6'b,7,7',7a,8',10',12',12'a,12'b-eicosahydro-3,6,11',12'b-tetramethylspiro(furo(3,2-b)pyridine-2(3h),9'(1'h)-naphth(2,1-a)azulen)-3'-yl)-

34. Methanesulfonamide, N-((2s,3r,3'r,3as,4'ar,6s,6'ar,6'bs,7ar,12'as,12'bs)-2',3',3a,4,4',4'a,5,5',6,6',6'a,6'b,7,7',7a,8',10',12',12'a,12'b-eicosahydro-3,6,11',12'b-tetramethylspiro(furo(3,2-b)pyridine-2(3h),9'(1'h)-naphth(2,1-a)azulen)-3'-yl)-

35. N-((2s,3r,3as,3''r,4a''r,6s,6a''r,6b''s,7ar,12a''s,12b''s)-3,6,11'',12b''-tetramethyl-2'',3a,3'',4,4'',4a'',5,5'',6,6'',6a'',6b'',7,7a,7'',8'',10'',12'',12a'',12b''-icosahydro-1''h,3h-spiro[furo[3,2-b]pyridine-2,9''-naphtho[2,1-a]azulene]-3''-yl)methanesulfonamide

36. N-[(3r,3'r,3'as,4ar,6's,6ar,6bs,7'ar,9s,12as,12bs)-3',6',11,12b-tetramethylspiro[1,2,3,4,4a,5,6,6a,6b,7,8,10,12,12a-tetradecahydronaphtho[2,1-a]azulene-9,2'-3a,4,5,6,7,7a-hexahydro-3h-uro[3,2-b]pyridine]-3-yl]methanesulonamide

2.4 Create Date
2008-11-17
3 Chemical and Physical Properties
Molecular Weight 504.8 g/mol
Molecular Formula C29H48N2O3S
XLogP34.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass504.33856457 g/mol
Monoisotopic Mass504.33856457 g/mol
Topological Polar Surface Area75.8 Ų
Heavy Atom Count35
Formal Charge0
Complexity988
Isotope Atom Count0
Defined Atom Stereocenter Count11
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

Treatment of naevoid basal-cell carcinoma syndrome (Gorlin syndrome)


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ABOUT THIS PAGE

Patidegib Manufacturers

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

Patidegib Suppliers

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

Patidegib GMP

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

Patidegib CoA

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

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

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