 Home > Encyclopedia > rel-2-[[[(1-Methylethyl)amino]carbonyl]amino]-N-[2-[[(1R,2S)-2-[[4-(methylthio)benzoyl]amino]cyclohexyl]amino]-2-oxoethyl]-5-(trifluoromethyl)benzamide

rel-2-[[[(1-Methylethyl)amino]carbonyl]amino]-N-[2-[[(1R,2S)-2-[[4-(methylthio)benzoyl]amino]cyclohexyl]amino]-2-oxoethyl]-5-(trifluoromethyl)benzamide

rel-2-[[[(1-Methylethyl)amino]carbonyl]amino]-N-[2-[[(1R,2S)-2-[[4-(methylthio)benzoyl]amino]cyclohexyl]amino]-2-oxoethyl]-5-(trifluoromethyl)benzamide structure

CAS No:
445479-97-0
Formula:
C28H34F3N5O4S
Chemical Name:
rel-2-[[[(1-Methylethyl)amino]carbonyl]amino]-N-[2-[[(1R,2S)-2-[[4-(methylthio)benzoyl]amino]cyclohexyl]amino]-2-oxoethyl]-5-(trifluoromethyl)benzamide
Synonyms:
Benzamide,2-[[[(1-methylethyl)amino]carbonyl]amino]-N-[2-[[(1R,2S)-2-[[4-(methylthio)benzoyl]amino]cyclohexyl]amino]-2-oxoethyl]-5-(trifluoromethyl)-,rel-;rel-2-[[[(1-Methylethyl)amino]carbonyl]amino]-N-[2-[[(1R,2S)-2-[[4-(methylthio)benzoyl]amino]cyclohexyl]amino]-2-oxoethyl]-5-(trifluoromethyl)benzamide;2-[(Isopropylaminocarbonyl)amino]-N-[2-[[cis-2-[[4-(methylthio)benzoyl]amino]cyclohexyl]amino]-2-oxoethyl]-5-(trifluoromethyl)benzamide;BMS CCR 2-22

Request for Quotation

Description

BMS CCR2 22 is a potent, specific and high affinity CC-type chemokine receptor 2 (CCR2) antagonist with excellent binding affinity (binding IC50 of 5.1 nM) and potent functional antagonism (calcium flux IC50 of 18 nM and chemotaxis IC50 of 1 nM)[1][2].

rel-2-[[[(1-Methylethyl)amino]carbonyl]amino]-N-[2-[[(1R,2S)-2-[[4-(methylthio)benzoyl]amino]cyclohexyl]amino]-2-oxoethyl]-5-(trifluoromethyl)benzamide Basic Attributes

Molecular Weight：

593.668

Exact Mass：

593.66

DSSTox ID：

DTXSID20722035

Characteristics

PSA：

153.73000

XLogP3：

6.18100

Density：

1.33±0.1 g/cm3(Predicted)

Storage Conditions：

Store at +4°C

Computed Properties

Molecular Weight:593.7
XLogP3:4.6
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:9
Exact Mass:593.22836024
Monoisotopic Mass:593.22836024
Topological Polar Surface Area:154
Heavy Atom Count:41
Complexity:914
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Hot Searches: anisometropia; hcl sds; chemical formula nitrate; propylene carbonate; barium sulfate formula; ischiorectal abscess

Guide of rel-2-[[[(1-Methylethyl)amino]carbonyl]amino]-N-[2-[[(1R,2S)-2-[[4-(methylthio)benzoyl]amino]cyclohexyl]amino]-2-oxoethyl]-5-(trifluoromethyl)benzamide

Description
Basic Attributes
Characteristics
Computed Properties

rel-2-[[[(1-Methylethyl)amino]carbonyl]amino]-N-[2-[[(1R,2S)-2-[[4-(methylthio)benzoyl]amino]cyclohexyl]amino]-2-oxoethyl]-5-(trifluoromethyl)benzamide

SDS

Request for Quotation



Feedback & Suggestions

Send Message

Thank you for your feedback. If you require further assistance, please contact us by email at info@echemi.com or call us at +86-532-55729510.