ST8155AA1

CAT: 0013-GTR19219344-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19219344-01Size:5 mg

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Description

ST8155AA1 is an antibody-drug conjugate (ADC) payload-linker complex, where an HDAC inhibitor is conjugated via a cleavable linker. This ADC component demonstrates antitumor efficacy and is utilized in cancer research for evaluating targeted drug delivery in both in vitro cytotoxicity assays and in vivo xenograft models.

CAS Number

2247025-63-2

Smiles

[C@H] (C (NC1=CC=C (CSCCCCC[C@H] (NC (=O) [C@H]2CCC (=O) N2) C (NC3=CC=CC=C3) =O) C=C1) =O) (NC ([C@@H] (NC (CCCCCC (O) =O) =O) [C@@H] (C) C) =O) CCCNC (N) =O

Molecular Formula

C43H62N8O9S

Molecular Weight

867.07

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

7-[[(2S)-1-[[(2S)-1-[4-[[(6S)-7-anilino-7-oxo-6-[[(2R)-5-oxopyrrolidine-2-carbonyl]amino]heptyl]sulfanylmethyl]anilino]-5-(carbamoylamino)-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-7-oxoheptanoic acid

CAS Number	2247025-63-2
PubChem CID	135339872
IUPAC Name	7-[[(2S)-1-[[(2S)-1-[4-[[(6S)-7-anilino-7-oxo-6-[[(2R)-5-oxopyrrolidine-2-carbonyl]amino]heptyl]sulfanylmethyl]anilino]-5-(carbamoylamino)-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-7-oxoheptanoic acid
Molecular Formula	C43H62N8O9S
Molecular Weight	867.1
XLogP	2.9
Topological Polar Surface Area	292
Hydrogen Bond Donor Count	9
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	28
Heavy Atom Count	61
Formal Charge	0
Complexity	1440

SMILES

CC(C)[C@@H](C(=O)N[C@@H](CCCNC(=O)N)C(=O)NC1=CC=C(C=C1)CSCCCCC[C@@H](C(=O)NC2=CC=CC=C2)NC(=O)[C@H]3CCC(=O)N3)NC(=O)CCCCCC(=O)O

InChI

InChI=1S/C43H62N8O9S/c1-28(2)38(51-35(52)17-9-4-10-18-37(54)55)42(59)50-33(16-12-25-45-43(44)60)40(57)47-31-21-19-29(20-22-31)27-61-26-11-5-8-15-32(39(56)46-30-13-6-3-7-14-30)49-41(58)34-23-24-36(53)48-34/h3,6-7,13-14,19-22,28,32-34,38H,4-5,8-12,15-18,23-27H2,1-2H3,(H,46,56)(H,47,57)(H,48,53)(H,49,58)(H,50,59)(H,51,52)(H,54,55)(H3,44,45,60)/t32-,33-,34+,38-/m0/s1

InChIKey

GAYBMHZYLPNGIW-XGHZCBFSSA-N

Chemical Structure

2D Structure

CAS: 2247025-63-2

CID: 135339872

Formula: C43H62N8O9S

MW: 867.1

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	867.1
XLogP3	2.9
Hydrogen Bond Donor Count	9
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	28
Exact Mass	866.43604676
Monoisotopic Mass	866.43604676
Topological Polar Surface Area	292 Å²
Heavy Atom Count	61
Formal Charge	0
Complexity	1440
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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T81100-01	ST8155AA1

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Chemical Information

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