MedKoo Cat#: 406766 | Name: CFI-401980

Description:

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

CFI-401980 a potent and selective, novel class of TTK inhibitor (TKK Ki = 0.8 nM; HCT116 GI50 = 13 nM, rat PK: oral BA =97%). CFI-401980 demonstrate a strong anti-proliferative activity in a panel of human cancer cell lines (HCT116 GI50 < 15 nM) and good rodent pharmacokinetics (oral %F 97 %). TTK/Mps1 is a key kinase controlling progression of cell division via participation in the mitotic spindle assembly checkpoint and is overexpressed in a number of human cancers.

Chemical Structure

CFI-401980
CFI-401980
CAS# 1610676-27-1

Theoretical Analysis

MedKoo Cat#: 406766

Name: CFI-401980

CAS#: 1610676-27-1

Chemical Formula: C28H30N6O3

Exact Mass: 498.2379

Molecular Weight: 498.59

Elemental Analysis: C, 67.45; H, 6.07; N, 16.86; O, 9.63

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
Bulk Inquiry
Related CAS #
No Data
Synonym
CFI-401980; CFI 401980; CFI401980.
IUPAC/Chemical Name
N-cyclopropyl-2-methyl-4-(2-phenoxy-4-(((tetrahydro-2H-pyran-4-yl)methyl)amino)pyrazolo[1,5-a][1,3,5]triazin-8-yl)benzamide
InChi Key
SPYVZMIWNDEJND-UHFFFAOYSA-N
InChi Code
InChI=1S/C28H30N6O3/c1-18-15-20(7-10-23(18)26(35)31-21-8-9-21)24-17-30-34-25(24)32-28(37-22-5-3-2-4-6-22)33-27(34)29-16-19-11-13-36-14-12-19/h2-7,10,15,17,19,21H,8-9,11-14,16H2,1H3,(H,31,35)(H,29,32,33)
SMILES Code
O=C(NC1CC1)C2=CC=C(C3=C4N(N=C3)C(NCC5CCOCC5)=NC(OC6=CC=CC=C6)=N4)C=C2C
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
Soluble in DMSO, not in water
Shelf Life
>2 years if stored properly
Drug Formulation
This drug may be formulated in DMSO
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 498.59 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
Discovery of 4-(4-aminopyrazolo[1,5-a][1,3,5]triazin-8-yl)benzamides as Novel, highly potent and selective, orally bioavailable inhibitors of Tyrosine Threonine Kinase, TTK Radoslaw Laufer, Sze-Wan Li, Yong Liu, Grace Ng, Yunhui Lang, Miklos Feher, Richard Brokx, Irina Beletskaya, Richard Hodgson, Guodong Mao, Olga Plotnikova, Donald E. Awrey, Jacqueline M. Mason, Xin Wei, Dan Chi-Chia Lin, Yi Che, Reza Kiarash, Brian Madeira, Graham C. Fletcher, Tak W. Mak, Mark R. Bray, Henry W. Pauls PII: S0960-894X(16)30631-X DOI: http://dx.doi.org/10.1016/j.bmcl.2016.06.021 Reference: BMCL 23974 To appear in: Bioorganic & Medicinal Chemistry Letters