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RMS5

CAT: 0931-T64223-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T64223-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2497686-68-5
Target
Others, P-gp, Apoptosis
Related Pathways
Membrane transporter/Ion channel, Apoptosis, Others, Neuroscience
Bioactivity
RMS5 is a hambanine analogue and a potent P-glycoprotein (P-gp) inhibitor.RMS5 has significant anti-proliferative and cytotoxic effects on cancer cells.RMS5 slightly reduces the expression of the anti-apoptotic Bcl-2 family proteins Bcl-XL and Mcl-1.RMS3 causes cleavage of PARP, a marker of apoptosis.RMS5 has strong anti-cancer properties. RMS5 has strong anti-cancer properties.
Smiles
O(C)C1=C2C3=C(C=C1OC)CCN(C)[C@]3(CC4=CC(=CS4)OC=5C=CC(C[C@@]6(C7=CC(O2)=C(OC)C=C7CCN6C)[H])=CC5)[H]
Molecular Formula
C35H38N2O5S
Molecular Weight
598.75
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

CID 163408852
CAS Number2497686-68-5
PubChem CID163408852
IUPAC Name(1R,13S)-19,20,24-trimethoxy-14,29-dimethyl-7,22-dioxa-10-thia-14,29-diazaheptacyclo[21.6.2.23,6.18,11.113,17.026,30.021,32]pentatriaconta-3(35),4,6(34),8,11(33),17,19,21(32),23,25,30-undecaene
Molecular FormulaC35H38N2O5S
Molecular Weight598.8
XLogP6.4
Topological Polar Surface Area80.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count3
Heavy Atom Count43
Formal Charge0
Complexity921
SMILES
CN1CCC2=CC(=C3C=C2[C@H]1CC4=CC=C(C=C4)OC5=CSC(=C5)C[C@H]6C7=C(O3)C(=C(C=C7CCN6C)OC)OC)OC
InChI
InChI=1S/C35H38N2O5S/c1-36-12-10-22-15-30(38-3)31-19-27(22)28(36)14-21-6-8-24(9-7-21)41-25-17-26(43-20-25)18-29-33-23(11-13-37(29)2)16-32(39-4)34(40-5)35(33)42-31/h6-9,15-17,19-20,28-29H,10-14,18H2,1-5H3/t28-,29+/m1/s1
InChIKey
HWSAYCQUVTUTHZ-WDYNHAJCSA-N
Chemical Structure
2D Structure
2D structure of CID 163408852
CAS: 2497686-68-5
CID: 163408852
Formula: C35H38N2O5S
MW: 598.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight598.8
XLogP36.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count3
Exact Mass598.25014349
Monoisotopic Mass598.25014349
Topological Polar Surface Area80.9 Ų
Heavy Atom Count43
Formal Charge0
Complexity921
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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