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Hodoodo CAT#: H414795
CAS#: 1169829-40-6 (HCl)
Description: Patidegip, laos known as Saridegib and IPI-926, is an orally bioavailable, cyclopamine-derived (for structure comparison see Fig 1) inhibitor of the Hedgehog (Hh) pathway with potential antineoplastic activity. Specifically, Hedgehog pathway inhibitor IPI-926 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.
Hodoodo Cat#: H414795
Name: Patidegib HCl
CAS#: 1169829-40-6 (HCl)
Chemical Formula: C29H49ClN2O3S
Exact Mass: 540.32
Molecular Weight: 541.230
Elemental Analysis: C, 64.36; H, 9.13; Cl, 6.55; N, 5.18; O, 8.87; S, 5.92
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Related CAS #: 1169829-40-6 (HCl); 1037210-93-7 (free base)
Synonym: Patidegib hydrochloride; Patidegib HCl; Patidegib Free Base; IPI926; IPI-926; IPI 926; WHO9619; WHO-9619; WHO 9619
IUPAC/Chemical Name: 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 hydrochloride
InChi Key: LICVMCOINZNZNW-BATHLIJTSA-N
InChi Code: InChI=1S/C29H48N2O3S.ClH/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;1H/t17-,19+,20+,21+,22-,23-,25-,26+,27-,28-,29-;/m0./s1
SMILES Code: C[C@@H]1CN[C@@H]2[C@H](O[C@@]3([C@@H]2C)CC[C@H]4[C@@H]5CC[C@@H]6C[C@H](NS(=O)(C)=O)CC[C@@]6([C@H]5CC4=C(C3)C)C)C1.Cl
Appearance: Solid powder
Purity: >98% (or refer to the Certificate of Analysis)
Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility: To be determined
Shelf Life: >2 years if stored properly
Drug Formulation: To be determined
Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code: 2934.99.9001
More Info:
Biological target: | |
In vitro activity: | |
In vivo activity: |
The following data is based on the product molecular weight 541.23 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.
Concentration / Solvent Volume / Mass | 1 mg | 5 mg | 10 mg |
---|---|---|---|
1 mM | 1.15 mL | 5.76 mL | 11.51 mL |
5 mM | 0.23 mL | 1.15 mL | 2.3 mL |
10 mM | 0.12 mL | 0.58 mL | 1.15 mL |
50 mM | 0.02 mL | 0.12 mL | 0.23 mL |
Formulation protocol: | |
In vitro protocol: | |
In vivo protocol: |
1: Gutzmer R, Solomon JA. Hedgehog Pathway Inhibition for the Treatment of Basal Cell Carcinoma. Target Oncol. 2019 Jun;14(3):253-267. doi: 10.1007/s11523-019-00648-2. PMID: 31243642.