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Reversin 205

CAT: 0931-T81290-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T81290-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
174630-05-8
Target
P-gp
Related Pathways
Neuroscience, Membrane transporter/Ion channel
Bioactivity
Reversin 205 ([Boc-Glu (Obzl) ]2-Lys-Ome) serves as an inhibitor of P-glycoprotein (ABCB1) and functions as a peptide chemosensitizer [1].
Smiles
[C@@H](C(N[C@@H](CCCCNC([C@H](CCC(OCC1=CC=CC=C1)=O)NC(OC(C)(C)C)=O)=O)C(OC)=O)=O)(CCC(OCC2=CC=CC=C2)=O)NC(OC(C)(C)C)=O
Molecular Formula
C41H58N4O12
Molecular Weight
798.92
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Reversin 205

high affinity peptide chemosensitizer

CAS Number174630-05-8
PubChem CID9811030
IUPAC Namemethyl (2S)-2,6-bis[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-5-phenylmethoxypentanoyl]amino]hexanoate
Molecular FormulaC41H58N4O12
Molecular Weight798.9
XLogP4.8
Topological Polar Surface Area214
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count12
Rotatable Bond Count28
Heavy Atom Count57
Formal Charge0
Complexity1300
SMILES
CC(C)(C)OC(=O)N[C@@H](CCC(=O)OCC1=CC=CC=C1)C(=O)NCCCC[C@@H](C(=O)OC)NC(=O)[C@H](CCC(=O)OCC2=CC=CC=C2)NC(=O)OC(C)(C)C
InChI
InChI=1S/C41H58N4O12/c1-40(2,3)56-38(51)44-30(21-23-33(46)54-26-28-16-10-8-11-17-28)35(48)42-25-15-14-20-32(37(50)53-7)43-36(49)31(45-39(52)57-41(4,5)6)22-24-34(47)55-27-29-18-12-9-13-19-29/h8-13,16-19,30-32H,14-15,20-27H2,1-7H3,(H,42,48)(H,43,49)(H,44,51)(H,45,52)/t30-,31-,32-/m0/s1
InChIKey
BRVAQYBFHAIYLQ-CPCREDONSA-N
Chemical Structure
2D Structure
2D structure of Reversin 205
CAS: 174630-05-8
CID: 9811030
Formula: C41H58N4O12
MW: 798.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight798.9
XLogP34.8
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count12
Rotatable Bond Count28
Exact Mass798.40512330
Monoisotopic Mass798.40512330
Topological Polar Surface Area214 Ų
Heavy Atom Count57
Formal Charge0
Complexity1300
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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