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Hm30181

CAS No.:
849675-66-7
Catalog Number:
AG00G8C7
Molecular Formula:
C38H36N6O7
Molecular Weight:
688.7284
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
98%
1 week
United States
$223
- +
10mg
98%
1 week
United States
$307
- +
50mg
98%
1 week
United States
$757
- +
100mg
98%
1 week
United States
$1040
- +
Product Description
Catalog Number:
AG00G8C7
Chemical Name:
Hm30181
CAS Number:
849675-66-7
Molecular Formula:
C38H36N6O7
Molecular Weight:
688.7284
MDL Number:
MFCD25976625
IUPAC Name:
N-[2-[2-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]tetrazol-5-yl]-4,5-dimethoxyphenyl]-4-oxochromene-2-carboxamide
InChI:
InChI=1S/C38H36N6O7/c1-47-32-17-24-14-16-43(22-25(24)18-33(32)48-2)15-13-23-9-11-26(12-10-23)44-41-37(40-42-44)28-19-34(49-3)35(50-4)20-29(28)39-38(46)36-21-30(45)27-7-5-6-8-31(27)51-36/h5-12,17-21H,13-16,22H2,1-4H3,(H,39,46)
InChI Key:
AHJUHHDDCJQACA-UHFFFAOYSA-N
SMILES:
COc1cc(c(cc1OC)NC(=O)c1cc(=O)c2c(o1)cccc2)c1nnn(n1)c1ccc(cc1)CCN1CCc2c(C1)cc(c(c2)OC)OC
UNII:
K4I4I996O4
Properties
Complexity:
1220  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
688.265g/mol
Formal Charge:
0
Heavy Atom Count:
51  
Hydrogen Bond Acceptor Count:
11  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
688.741g/mol
Monoisotopic Mass:
688.265g/mol
Rotatable Bond Count:
11  
Topological Polar Surface Area:
139A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8  
Literature
Title Journal
Interaction of HM30181 with P-glycoprotein at the murine blood-brain barrier assessed with positron emission tomography. European journal of pharmacology 20121205
Tolerability and pharmacokinetics of a new P-glycoprotein inhibitor, HM30181, in healthy Korean male volunteers: single- and multiple-dose randomized, placebo-controlled studies. Clinical therapeutics 20120201
Selective inhibition of MDR1 (ABCB1) by HM30181 increases oral bioavailability and therapeutic efficacy of paclitaxel. European journal of pharmacology 20100210
Response of brain specific microenvironment to P-glycoprotein inhibitor: an important factor determining therapeutic effect of P-glycoprotein inhibitor on brain metastatic tumors. International journal of oncology 20081001
Characterization of human liver cytochrome P-450 enzymes involved in the O-demethylation of a new P-glycoprotein inhibitor HM-30181. Journal of toxicology and environmental health. Part A 20070801
Simultaneous determination of paclitaxel and a new P-glycoprotein inhibitor HM-30181 in rat plasma by liquid chromatography with tandem mass spectrometry. Journal of separation science 20060301
Metabolism of a new P-glycoprotein inhibitor HM-30181 in rats using liquid chromatography/electrospray mass spectrometry. Rapid communications in mass spectrometry : RCM 20060101
Properties