WARNING: This product is for research use only, not for human or veterinary use.
Hodoodo CAT#: H406766
CAS#: 1610676-27-1
Description: 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.
Hodoodo Cat#: H406766
Name: CFI-401980
CAS#: 1610676-27-1
Chemical Formula: C28H30N6O3
Exact Mass: 498.24
Molecular Weight: 498.587
Elemental Analysis: C, 67.45; H, 6.07; N, 16.86; O, 9.63
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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:
| Biological target: | |
| In vitro activity: | |
| In vivo activity: |
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.
| 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: |
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
