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Soblidotin

CAT: 0127-BUP01547-03Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP01547-03Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
149606-27-9
Synonyms
Auristatin PE, TZT-1027
Purity
=95%
Smiles
[H][C@]1(CCCN1C(=O)C[C@@H](OC)[C@H]([C@@H](C)CC)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C(C)C)[C@H](OC)[C@@H](C)C(=O)NCCc1ccccc1

Chemical Information

Soblidotin

Soblidotin is a tetrapeptide derivative of dolastatin 10. It is an inhibitor of tubulin polymerization which exhibits potent antitumor activity. It has a role as an antineoplastic agent, a microtubule-destabilising agent and an apoptosis inducer. It is functionally related to a L-valine and a 2-phenylethylamine.

CAS Number149606-27-9
PubChem CID6918315
IUPAC Name(2S)-2-[[(2S)-2-(dimethylamino)-3-methylbutanoyl]amino]-N-[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-(2-phenylethylamino)propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,3-dimethylbutanamide
Molecular FormulaC39H67N5O6
Molecular Weight702.0
XLogP5.2
Topological Polar Surface Area121
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count20
Heavy Atom Count50
Formal Charge0
Complexity1060
SMILES
CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@@H]([C@@H](C)C(=O)NCCC2=CC=CC=C2)OC)OC)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)N(C)C
InChI
InChI=1S/C39H67N5O6/c1-13-27(6)35(43(10)39(48)33(25(2)3)41-38(47)34(26(4)5)42(8)9)31(49-11)24-32(45)44-23-17-20-30(44)36(50-12)28(7)37(46)40-22-21-29-18-15-14-16-19-29/h14-16,18-19,25-28,30-31,33-36H,13,17,20-24H2,1-12H3,(H,40,46)(H,41,47)/t27-,28+,30-,31+,33-,34-,35-,36+/m0/s1
InChIKey
DZMVCVHATYROOS-ZBFGKEHZSA-N
Chemical Structure
2D Structure
2D structure of Soblidotin
CAS: 149606-27-9
CID: 6918315
Formula: C39H67N5O6
MW: 702.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight702.0
XLogP35.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count20
Exact Mass701.50913487
Monoisotopic Mass701.50913487
Topological Polar Surface Area121 Ų
Heavy Atom Count50
Formal Charge0
Complexity1060
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
GTR19175203-01Soblidotin
A21227-50Soblidotin 50mg
A21227-10Soblidotin 10mg
A21227-25Soblidotin 25mg
A21227-5Soblidotin 5mg
A21227-1Soblidotin 1mg

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