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TAM557

CAT: 0013-GTR19234517-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19234517-02Size:10 mg
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Description
TAM557 is a cytotoxic tubulysin derivative designed for enzymatic conjugation, facilitating the creation of antibody-drug conjugates (ADCs) . It is utilized in cancer research for evaluating targeted drug delivery in both in vitro cytotoxicity assays and in vivo xenograft models.
CAS Number
1802499-20-2
Field of Research
Signal Transduction
Smiles
[C@H] (C[C@@H] (N (C ([C@@H] (NC (=O) [C@@H]1N (C) CCCC1) [C@H] (CC) C) =O) CCC) [C@H] (C) C) (OCCC) C2=NC (C (N[C@@H] (CC3=CC=C (O) C=C3) C[C@@H] (C (NNC (OCCOCCOCCOCCN) =O) =O) C) =O) =CS2
Molecular Formula
C50H84N8O11S
Molecular Weight
1005.31
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl N-[[(2S,4R)-5-(4-hydroxyphenyl)-2-methyl-4-[[2-[(1R,3R)-4-methyl-3-[[(2S,3S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoyl]-propylamino]-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]pentanoyl]amino]carbamate
CAS Number1802499-20-2
PubChem CID118283869
IUPAC Name2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl N-[[(2S,4R)-5-(4-hydroxyphenyl)-2-methyl-4-[[2-[(1R,3R)-4-methyl-3-[[(2S,3S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoyl]-propylamino]-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]pentanoyl]amino]carbamate
Molecular FormulaC50H84N8O11S
Molecular Weight1005.3
XLogP5.7
Topological Polar Surface Area273
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count15
Rotatable Bond Count34
Heavy Atom Count70
Formal Charge0
Complexity1510
SMILES
CCCN([C@H](C[C@H](C1=NC(=CS1)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C[C@H](C)C(=O)NNC(=O)OCCOCCOCCOCCN)OCCC)C(C)C)C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H]3CCCCN3C
InChI
InChI=1S/C50H84N8O11S/c1-9-20-58(49(63)44(35(6)11-3)54-47(62)41-14-12-13-21-57(41)8)42(34(4)5)32-43(68-22-10-2)48-53-40(33-70-48)46(61)52-38(31-37-15-17-39(59)18-16-37)30-36(7)45(60)55-56-50(64)69-29-28-67-27-26-66-25-24-65-23-19-51/h15-18,33-36,38,41-44,59H,9-14,19-32,51H2,1-8H3,(H,52,61)(H,54,62)(H,55,60)(H,56,64)/t35-,36-,38+,41+,42+,43+,44-/m0/s1
InChIKey
MJOBFSPFDXPIOA-ICPUFXKISA-N
Chemical Structure
2D Structure
2D structure of 2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl N-[[(2S,4R)-5-(4-hydroxyphenyl)-2-methyl-4-[[2-[(1R,3R)-4-methyl-3-[[(2S,3S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoyl]-propylamino]-1-propoxypentyl]-1,3-thiazole-4-carbonyl]amino]pentanoyl]amino]carbamate
CAS: 1802499-20-2
CID: 118283869
Formula: C50H84N8O11S
MW: 1005.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1005.3
XLogP35.7
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count15
Rotatable Bond Count34
Exact Mass1004.59802670
Monoisotopic Mass1004.59802670
Topological Polar Surface Area273 Ų
Heavy Atom Count70
Formal Charge0
Complexity1510
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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