ChemicalBook CAS DataBase List (9bS)-9b-(4-chlorophenyl)-1-(3,4-difluorobenzoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one

(9bS)-9b-(4-chlorophenyl)-1-(3,4-difluorobenzoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one

Product Name(9bS)-9b-(4-chlorophenyl)-1-(3,4-difluorobenzoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one
CAS1488362-55-5
CBNumberCB83927744
MFC23H15ClF2N2O2
MW424.8272064
MDL NumberMFCD28411378
MOL File1488362-55-5.mol
MSDS FileSDS

Chemical Properties

storage temp.	2-8°C
solubility	DMSO: 2mg/mL, clear
form	Solid
color	White to off-white
optical activity	[α]/D -150 to -175, c =0.5 in chloroform-d
InChIKey	GXBAKXRLQAPKEE-QHCPKHFHSA-N
SMILES	Fc1c(ccc(c1)C(=O)N2[C@]4(N(CC2)C(=O)c5c4cccc5)c3ccc(cc3)Cl)F
UNSPSC Code	12352200
NACRES	NA.77

Safety

WGK Germany	WGK 3
Storage Class	11 - Combustible Solids

(9bS)-9b-(4-chlorophenyl)-1-(3,4-difluorobenzoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one Price

Product number	Packaging	Price	Product description	Buy
Sigma-Aldrich SML2728	5MG	$107	ML375 ≥98% (HPLC)	Buy
Sigma-Aldrich SML2728	25MG	$435	ML375 ≥98% (HPLC)	Buy

(9bS)-9b-(4-chlorophenyl)-1-(3,4-difluorobenzoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one Chemical Properties,Usage,Production

Description

ML375 is a potent, selective and CNS penetrant M5 negative allosteric modulator (NAM).

Uses

ML375 (VU0483253) is a potent, highly selective, brain-penetrant and orally active M5 mAChR negative allosteric modulator (NAM) with IC50s of 300 nM and 790 nM for human and rat M5, respectively. ML375 is inactive at human and rat M1-M4[1].

in vivo

ML375 (10-30 mg/kg; i.p.; once) attenuates both the reinforcing effects and the relative strength of cocaine^[2].
ML375 exhibits low clearance (CL_p, 2.5 mL/min/kg) and a long elimination half-life (T_1/2, 80 hr) in rodents (male, Sprague-Dawley rat, 1 mg/kg IV,) and nonhuman primates (male, cynomolgus monkey, 1 mg/kg, CL_p, 3.0 mL/min/kg, T_1/2, 10 hr)^[1].
ML375 also demonstrates high oral bioavailability (%F, 80) following administration of a suspension-dose to male SD rats with a maximal plasma concentration (C_max) of 1.4 μM and a corresponding time to reach C_max (T_max) of 7 hours^[1].

Animal Model:	Male Sprague-Dawley rats (70 days old; 260-300 g) injected with cocaine^[2]
Dosage:	10 mg/kg, 30 mg/kg
Administration:	i.p.; once
Result:	Produced dose-related reductions in cocaine self-administration.

IC 50

mAChR5

References

[1] Patrick R Gentry, et al. Discovery of the first M5-selective and CNS penetrant negative allosteric modulator (NAM) of a muscarinic acetylcholine receptor: (S)-9b-(4-chlorophenyl)-1-(3,4-difluorobenzoyl)-2,3-dihydro-1H-imidazo[2,1-a]isoindol-5(9bH)-one (ML375). J Med Chem. 2013 Nov 27;56(22):9351-5. DOI:10.1021/jm4013246
[2] Barak W Gunter, et al. Selective inhibition of M 5 muscarinic acetylcholine receptors attenuates cocaine self-administration in rats. Addict Biol. 2018 Sep;23(5):1106-1116. DOI:10.1111/adb.12567

Preparation Products And Raw materials

(9bS)-9b-(4-chlorophenyl)-1-(3,4-difluorobenzoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one Suppliers

Supplier	Tel	Email	Country	ProdList	Advantage
TargetMol Chemicals Inc.	+1-781-999-5354; +17819995354	marketing@targetmol.com	United States	32467	58
TargetMol Chemicals Inc.	+17819995354	marketing@targetmol.com	United States	19957	58
Shanghai Han-Xiang Chemical Co., Ltd.	15971444841	amber@biochempartner.com	China	3061	58
Beijing Biocreative Technology Co., Ltd.	15522676233	3007606172@qq.com	China	1248	58
TargetMol Chemicals Inc.	15002134094	marketing@targetmol.cn	China	29430	58
Merck KGaA	21-20338288	ordercn@merckgroup.com	China	6038	58
Biosynth Biological Technology (Suzhou) Co Ltd	51288865780	sales@biosynth.com	China	6051	58
Lucheng (Shenzhen) Technology Co., Ltd.	13128698830		CHINA	5680	58

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