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754240-09-0 | EHT 1864
CAS No: 754240-09-0 Catalog No: AG005BIP MDL No:MFCD11114384
Product Description
Catalog Number:
AG005BIP
Chemical Name:
EHT 1864
CAS Number:
754240-09-0
Molecular Formula:
C25H29Cl2F3N2O4S
Molecular Weight:
581.4750
MDL Number:
MFCD11114384
IUPAC Name:
2-(morpholin-4-ylmethyl)-5-[5-[7-(trifluoromethyl)quinolin-4-yl]sulfanylpentoxy]pyran-4-one;dihydrochloride
InChI:
InChI=1S/C25H27F3N2O4S.2ClH/c26-25(27,28)18-4-5-20-21(14-18)29-7-6-24(20)35-13-3-1-2-10-33-23-17-34-19(15-22(23)31)16-30-8-11-32-12-9-30;;/h4-7,14-15,17H,1-3,8-13,16H2;2*1H
InChI Key:
LSECOAJFCKFQJG-UHFFFAOYSA-N
SMILES:
O=c1cc(occ1OCCCCCSc1ccnc2c1ccc(c2)C(F)(F)F)CN1CCOCC1.Cl.Cl
Properties
Complexity:
770
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
580.118g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
581.472g/mol
Monoisotopic Mass:
580.118g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
86.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| The Phospholipase Cγ2 Mutants R665W and L845F Identified in Ibrutinib-resistant Chronic Lymphocytic Leukemia Patients Are Hypersensitive to the Rho GTPase Rac2 Protein. | The Journal of biological chemistry 20161014 |
| Calmodulin-kinases regulate basal and estrogen stimulated medulloblastoma migration via Rac1. | Journal of neuro-oncology 20110801 |
| Inhibition of the Rho GTPase, Rac1, decreases estrogen receptor levels and is a novel therapeutic strategy in breast cancer. | Endocrine-related cancer 20110401 |
| Nicotinamide adenine dinucleotide phosphate reduced oxidase 5 (Nox5) regulation by angiotensin II and endothelin-1 is mediated via calcium/calmodulin-dependent, rac-1-independent pathways in human endothelial cells. | Circulation research 20100430 |
| RAC1 inhibition targets amyloid precursor protein processing by gamma-secretase and decreases Abeta production in vitro and in vivo. | The Journal of biological chemistry 20051111 |
| Crystalline aspartate aminotransferase from Pseudomonas striata. | FEBS letters 19760101 |
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