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YS-370

CAT: 0931-T60009-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T60009-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2470908-79-1
Target
P-gp
Related Pathways
Neuroscience, Membrane transporter/Ion channel
Purity
0.98055
Bioactivity
YS-370 is an orally active inhibitor of P-gp and shows moderate inhibition against CYP3A4. YS-370 effectively reverses multidrug resistance to paclitaxel and colchicine and exhibits stronger antitumor activity in combination with paclitaxel.
Smiles
COc1cc2ncnc(-c3c(-c4ccccc4)n(Cc4ccccc4Br)c4ccccc34)c2cc1OCCCN1CCOCC1
Molecular Formula
C37H35BrN4O3
Molecular Weight
663.6
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

4-[3-[4-[1-[(2-Bromophenyl)methyl]-2-phenylindol-3-yl]-7-methoxyquinazolin-6-yl]oxypropyl]morpholine
CAS Number2470908-79-1
PubChem CID162679251
IUPAC Name4-[3-[4-[1-[(2-bromophenyl)methyl]-2-phenylindol-3-yl]-7-methoxyquinazolin-6-yl]oxypropyl]morpholine
Molecular FormulaC37H35BrN4O3
Molecular Weight663.6
XLogP7.2
Topological Polar Surface Area61.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Heavy Atom Count45
Formal Charge0
Complexity903
SMILES
COC1=C(C=C2C(=C1)N=CN=C2C3=C(N(C4=CC=CC=C43)CC5=CC=CC=C5Br)C6=CC=CC=C6)OCCCN7CCOCC7
InChI
InChI=1S/C37H35BrN4O3/c1-43-33-23-31-29(22-34(33)45-19-9-16-41-17-20-44-21-18-41)36(40-25-39-31)35-28-13-6-8-15-32(28)42(24-27-12-5-7-14-30(27)38)37(35)26-10-3-2-4-11-26/h2-8,10-15,22-23,25H,9,16-21,24H2,1H3
InChIKey
WSOJDUFWINGDJI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-[3-[4-[1-[(2-Bromophenyl)methyl]-2-phenylindol-3-yl]-7-methoxyquinazolin-6-yl]oxypropyl]morpholine
CAS: 2470908-79-1
CID: 162679251
Formula: C37H35BrN4O3
MW: 663.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight663.6
XLogP37.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Exact Mass662.18925
Monoisotopic Mass662.18925
Topological Polar Surface Area61.6 Ų
Heavy Atom Count45
Formal Charge0
Complexity903
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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