WARNING: This product is for research use only, not for human or veterinary use.
Hodoodo CAT#: H123133
CAS#: 1693734-80-3
Description: CCT361814, also known as NXP800, is a a potent and orally bioavailable HSF1 Pathway Inhibitor, which caused tumor regression in a human ovarian adenocarcinoma xenograft model with on-pathway biomarker modulation and a clean in vitro safety profile. CCT361814 displayed a good PK profile across different species and excellent therapeutic efficacy, including tumor regression, from a low free exposure in an in vivo human ovarian cancer xenograft mouse model, and demonstrated biomarker modulation in tumor tissue consistent with the HSF1 pathway inhibition─representing overall a strong pharmacological audit trail.
Hodoodo Cat#: H123133
Name: CCT361814
CAS#: 1693734-80-3
Chemical Formula: C32H32FN5O4
Exact Mass: 569.24
Molecular Weight: 569.640
Elemental Analysis: C, 67.47; H, 5.66; F, 3.34; N, 12.29; O, 11.23
Related CAS #: 1693734-80-3
Synonym: CCT361814; CCT-361814; CCT 361814; NPX800; NPX 800; NXP-800;
IUPAC/Chemical Name: N-[5-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)-2-fluorophenyl]-2-[(4-ethylpiperazin-1-yl)methyl]quinoline-6-carboxamide
InChi Key: UBALMDIKIGDHJW-UHFFFAOYSA-N
InChi Code: InChI=1S/C32H32FN5O4/c1-2-37-11-13-38(14-12-37)20-25-6-3-21-17-22(4-9-27(21)34-25)32(40)36-28-19-24(7-8-26(28)33)35-31(39)23-5-10-29-30(18-23)42-16-15-41-29/h3-10,17-19H,2,11-16,20H2,1H3,(H,35,39)(H,36,40)
SMILES Code: O=C(C1=CC=C2N=C(CN3CCN(CC)CC3)C=CC2=C1)NC4=CC(NC(C5=CC=C(OCCO6)C6=C5)=O)=CC=C4F
Appearance: To be determined
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: | |
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The following data is based on the product molecular weight 569.64 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: |
Pasqua AE, Sharp SY, Chessum NEA, Hayes A, Pellegrino L, Tucker MJ, Miah A, Wilding B, Evans LE, Rye CS, Mok NY, Liu M, Henley AT, Gowan S, De Billy E, Te Poele R, Powers M, Eccles SA, Clarke PA, Raynaud FI, Workman P, Jones K, Cheeseman MD. HSF1 Pathway Inhibitor Clinical Candidate (CCT361814/NXP800) Developed from a Phenotypic Screen as a Potential Treatment for Refractory Ovarian Cancer and Other Malignancies. J Med Chem. 2023 Apr 5. doi: 10.1021/acs.jmedchem.3c00156. Epub ahead of print. PMID: 37017629.