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Duostatin 5

CAT: 0013-GTR19220390-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19220390-02Size:5 mg
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Description
Duostatin 5 (Duo-5) is a synthetic analog of the natural dolastatin 10 toxin, designed for constructing antibody-drug conjugates (ADCs) . It serves as a potent microtubule-disrupting payload in oncology research, enabling the evaluation of targeted therapies in both cellular and animal models.
CAS Number
2124210-34-8
Product Name Alternative
ADCCytotoxin, ADC Cytotoxin, Antibody-Drug Conjugates (ADCs)
Purity
96.98% (May vary between batches)
Solubility
DMSO:100 mg/mL (129.53 mM) ;10% DMSO+40% PEG300+5% Tween 80+45% Saline:4 mg/mL (5.18 mM)
Smiles
[C@H] ([C@H] (C (N[C@@H] (CC1=CC=C (N) C=C1) CN=[N+]=[N-]) =O) C) (OC) [C@]2 (N (C (C[C@H] ([C@@H] (N (C ([C@@H] (NC ([C@H] (C (C) C) N (C) C) =O) [C@@H] (C) C) =O) C) [C@H] (CC) C) OC) =O) CCC2) [H]
Molecular Formula
C40H69N9O6
Molecular Weight
772.03
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Duostatin 5
CAS Number2124210-34-8
PubChem CID138320017
IUPAC Name(2S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[(2S)-1-(4-aminophenyl)-3-azidopropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-2-[[(2S)-2-(dimethylamino)-3-methylbutanoyl]amino]-N,3-dimethylbutanamide
Molecular FormulaC40H69N9O6
Molecular Weight772.0
XLogP5.5
Topological Polar Surface Area161
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count10
Rotatable Bond Count22
Heavy Atom Count55
Formal Charge0
Complexity1270
SMILES
CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@@H]([C@@H](C)C(=O)N[C@@H](CC2=CC=C(C=C2)N)CN=[N+]=[N-])OC)OC)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)N(C)C
InChI
InChI=1S/C40H69N9O6/c1-13-26(6)36(48(10)40(53)34(24(2)3)45-39(52)35(25(4)5)47(8)9)32(54-11)22-33(50)49-20-14-15-31(49)37(55-12)27(7)38(51)44-30(23-43-46-42)21-28-16-18-29(41)19-17-28/h16-19,24-27,30-32,34-37H,13-15,20-23,41H2,1-12H3,(H,44,51)(H,45,52)/t26-,27+,30-,31-,32+,34-,35-,36-,37+/m0/s1
InChIKey
QIHHTRNUHMRKQK-MNFMTBGBSA-N
Chemical Structure
2D Structure
2D structure of Duostatin 5
CAS: 2124210-34-8
CID: 138320017
Formula: C40H69N9O6
MW: 772.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight772.0
XLogP35.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count10
Rotatable Bond Count22
Exact Mass771.53708095
Monoisotopic Mass771.53708095
Topological Polar Surface Area161 Ų
Heavy Atom Count55
Formal Charge0
Complexity1270
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
HY-145149-01Duostatin 5
T205756-01Duostatin 5 2HCl
T205758-01Duostatin 5.3
AR-D07873-01Duostatin 5 Impurity 1
AR-D07874-01Duostatin 5-13C-d3

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