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1805789-54-1

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1805789-54-1 Structure

1805789-54-1 Structure
IdentificationBack Directory
[Name]

3-Piperidinol, 4-[[[3-(1-methylethyl)-7-[(phenylmethyl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]-, hydrochloride (1:1), (3R,4R)-
[CAS]

1805789-54-1
[Synonyms]

1), (3R,4R)-
PPDA-001 HCL SALT
ICEC0942 (CT7001)
CT7001 hydrochloride
ICEC 0942 hydrochloride
Samuraciclib hydrochloride
ICEC0942;ICE C0942;ICE-C0942;CT7001;CT-7001;CT 7001
(3R,4R)-4-(((7-(Benzylamino)-3-isopropylpyrazolo[1,5-a]pyrimidin-5-yl)amino)methyl)piperidin-3-olhydrochloride
3-Piperidinol, 4-3-(1-methylethyl)-7-(phenylmethyl)aminopyrazolo1,5-apyrimidin-5-ylaminomethyl-, hydrochloride (1
3-Piperidinol, 4-[[[3-(1-methylethyl)-7-[(phenylmethyl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]-, hydrochloride (1:1), (3R,4R)-
[Molecular Formula]

C22H31ClN6O
[MDL Number]

MFCD31657343
[MOL File]

1805789-54-1.mol
[Molecular Weight]

430.98
Chemical PropertiesBack Directory
[storage temp. ]

Store at -20°C
[solubility ]

DMSO: Soluble
[form ]

A solid
[color ]

White to light yellow
[InChIKey]

YMNPLAHCOLEZJE-ALSDZXMDNA-N
[SMILES]

N(C1=CC(NC[C@H]2CCNC[C@@H]2O)=NC2=C(C(C)C)C=NN12)CC1C=CC=CC=1.Cl |&1:6,11,r|
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
Hazard InformationBack Directory
[Uses]

CT7001 Hydrochloride, is a selective CDK7 inhibitor.
[in vivo]

Samuraciclib (ICEC0942; 100 mg/kg; oral gavage; daily; for 14 days; female nu/nu-BALB/c athymic nude mice) treatment inhibits tumor growth by 60% at day 14, and is accompanied by highly significant reductions in PolII Ser2 and Ser5 phosphorylation in PBMCs and in tumors[1].
? The combination of Samuraciclib (ICEC0942) and ICI 47699 treatment shows complete growth arrest of estrogen receptor (ER)-positive tumor xenografts[1].

Animal Model:Female nu/nu-BALB/c athymic nude mice (7-week old) with MCF7 cells[1]
Dosage:100 mg/kg
Administration:Oral gavage; daily; for 14 days
Result:At day 14, tumor growth was inhibited by 60%.
[IC 50]

CDK7: 41 nM (IC50); CDK2: 578 nM (IC50); CDK1: 1.8 μM (IC50); CDK4: 49 μM (IC50); CDK5: 9.4 μM (IC50); CDK6: 34 μM (IC50); CDK9: 1.2 μM (IC50)
[storage]

Store at -20°C
Spectrum DetailBack Directory
[Spectrum Detail]

3-Piperidinol, 4-[[[3-(1-methylethyl)-7-[(phenylmethyl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]-, hydrochloride (1:1), (3R,4R)-(1805789-54-1)1HNMR
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