MedKoo Cat#: 123133 | Name: CCT361814
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Description:

WARNING: This product is for research use only, not for human or veterinary use.

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.

Chemical Structure

CCT361814
CCT361814
CAS#1693734-80-3

Theoretical Analysis

MedKoo Cat#: 123133

Name: CCT361814

CAS#: 1693734-80-3

Chemical Formula: C32H32FN5O4

Exact Mass: 569.2438

Molecular Weight: 569.64

Elemental Analysis: C, 67.47; H, 5.66; F, 3.34; N, 12.29; O, 11.23

Price and Availability

Size Price Availability Quantity
25mg USD 250.00 2 Weeks
50mg USD 450.00 2 Weeks
100mg USD 750.00 2 Weeks
200mg USD 1,250.00 2 Weeks
500mg USD 2,650.00 2 Weeks
1g USD 3,850.00 2 Weeks
2g USD 6,450.00 2 Weeks
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Related CAS #
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

Preparing Stock Solutions

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.

Recalculate based on batch purity %
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
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.