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2101700-15-4

2101700-15-4 Structure

2101700-15-4 Structure
IdentificationBack Directory
[Name]

1H-Pyrazole-4-carboxamide, 5-amino-3-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]-1-[(1S)-2,2,2-trifluoro-1-methylethyl]-
[CAS]

2101700-15-4
[Synonyms]

Pirtobrutinib
(S)-5-amino-3-(4-((5-fluoro-2-methoxybenzamido)methyl)phenyl)-1-(1,1,1-trifluoropropan-2-yl)-1H-pyrazole-4-carboxamide
1H-Pyrazole-4-carboxamide, 5-amino-3-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]-1-[(1S)-2,2,2-trifluoro-1-methylethyl]-
[Molecular Formula]

C22H21F4N5O3
[MDL Number]

MFCD34179491
[MOL File]

2101700-15-4.mol
[Molecular Weight]

479.43
Chemical PropertiesBack Directory
[Boiling point ]

619.2±55.0 °C(Predicted)
[density ]

1.44±0.1 g/cm3(Predicted)
[storage temp. ]

4°C, stored under nitrogen
[solubility ]

DMSO : 50 mg/mL (104.29 mM; Need ultrasonic)
[form ]

A solid
[pka]

13.32±0.46(Predicted)
[color ]

White to yellow
[InChIKey]

FWZAWAUZXYCBKZ-NSHDSACASA-N
[SMILES]

N1([C@@H](C)C(F)(F)F)C(N)=C(C(N)=O)C(C2=CC=C(CNC(=O)C3=CC(F)=CC=C3OC)C=C2)=N1
Safety DataBack Directory
[Symbol(GHS) ]

Health Hazard (GHS08)
GHS08
[Signal word ]

Danger
[Hazard statements ]

H373-H360
[Precautionary statements ]

P260-P314-P501
Hazard InformationBack Directory
[Description]

Pirtobrutinib, or LOXO-305 and LY 3527727, is a Bruton's tyrosine kinase (BTK) inhibitor and antineoplastic agent. Pirtobrutinib showed promising initial efficacy in pts with pretreated Richter transformation with extremely poor prognosis, including in patients who had received prior chemoimmunotherapy and covalent BTK inhibitors. Pirtobrutinib is a highly selective and potent non-covalent BTK inhibitor (BTKi) with high oral bioavailability and a long half-life, resulting in robust BTK target coverage even in high-grade malignancies with high BTK protein turnover.
[Uses]

Pirtobrutinib (LOXO-305), a highly selective and non-covalent next generation BTK inhibitor, inhibits diverse BTK C481 substitution mutations. Pirtobrutinib causes regression of BTK-dependent lymphoma tumors in mouse xenograft models. Pirtobrutinib is also more than 300-fold selective for BTK versus 370 other kinases tested and shows no significant inhibition of non-kinase off-targets at 1 μM[1].
[storage]

4°C, stored under nitrogen
[References]

[1] Gomez E B , et al. Loxo-305, a Highly Selective and Non-Covalent Next Generation BTK Inhibitor, Inhibits Diverse BTK C481 Substitution Mutations[J]. Blood, 2019, 134(Supplement_1):4644-4644.
Spectrum DetailBack Directory
[Spectrum Detail]

LOXO-305(2101700-15-4)1HNMR
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