ChemicalBook--->CAS DataBase List--->2360851-29-0

2360851-29-0

2360851-29-0 Structure

2360851-29-0 Structure
IdentificationBack Directory
[Name]

4(3H)-Quinazolinone, 7-(cyclopropylmethoxy)-5-fluoro-2-[[(trans-4-hydroxycyclohexyl)thio]methyl]-
[CAS]

2360851-29-0
[Synonyms]

RBN012759
4(3H)-Quinazolinone, 7-(cyclopropylmethoxy)-5-fluoro-2-[[(trans-4-hydroxycyclohexyl)thio]methyl]-
[Molecular Formula]

C19H23FN2O3S
[MDL Number]

MFCD32857169
[MOL File]

2360851-29-0.mol
[Molecular Weight]

378.46
Chemical PropertiesBack Directory
[storage temp. ]

4°C, protect from light
[solubility ]

DMSO : 250 mg/mL (660.57 mM; Need ultrasonic)
[form ]

A solid
[color ]

White to off-white
[InChI]

InChI=1S/C19H23FN2O3S/c20-15-7-13(25-9-11-1-2-11)8-16-18(15)19(24)22-17(21-16)10-26-14-5-3-12(23)4-6-14/h7-8,11-12,14,23H,1-6,9-10H2,(H,21,22,24)/t12-,14-
[InChIKey]

NKZDEFKPZSLQRF-MQMHXKEQSA-N
[SMILES]

N1C2=C(C(F)=CC(OCC3CC3)=C2)C(=O)NC=1CS[C@@H]1CC[C@@H](O)CC1
Safety DataBack Directory
[Symbol(GHS) ]


GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Hazard InformationBack Directory
[Uses]

RBN012759 is an inhibitor of PARP14, which is useful in the treatment of cancer and inflammatory diseases.
[in vivo]

RBN012759 (500 mg/kg BID; p.o.) is well-tolerated in mice with repeat dosing[1].
? RBN012759 (100 mg/kg; p.o.) exhibits moderate orally bioavailability (30%) and short plasma half-life (0.4 h) due to moderate clearance (54 mL/min/kg) and low steady-state volume of distribution (1.4 L/kg) in mice[1].

[IC 50]

PARP14: <3 nM (IC50); PARP4: 10 μM (IC50); PARP5a: 8 μM (IC50); PARP5b: 10 μM (IC50); PARP6: 4 μM (IC50); PARP7: 4 μM (IC50); PARP8: 20 μM (IC50); PARP10: 1 μM (IC50); PARP11: 1 μM (IC50); PARP12: 5 μM (IC50); PARP15: 3 μM (IC50); PARP16: 6 μM (IC50)
[storage]

4°C, protect from light
Spectrum DetailBack Directory
[Spectrum Detail]

4(3H)-Quinazolinone, 7-(cyclopropylmethoxy)-5-fluoro-2-[[(trans-4-hydroxycyclohexyl)thio]methyl]-(2360851-29-0)1HNMR
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