AZ1508

CAT: 0013-GTR19225321-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19225321-01Size:100 mg

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Description

AZ1508 is a tubulin inhibitor designed as a drug-linker conjugate for antibody-drug conjugates (ADCs) . It is utilized in breast and gastric cancer research, with studies demonstrating its application in both in vitro cytotoxicity assays and in vivo xenograft models.

CAS Number

1817736-04-1

Field of Research

Pharmacology & Drug Discovery

Smiles

[C@H] (C[C@@H] (N (C ([C@@H] (NC (=O) [C@@H]1N (C) CC[C@@H] (C) C1) [C@H] (CC) C) =O) CC) C (C) C) (OC (C) =O) C2=NC (C (N[C@@H] (CC3=CC=C (NC ([C@@H] (NC (CCCCCN4C (=O) C=CC4=O) =O) CCCCN) =O) C=C3) C[C@@H] (C (O) =O) C) =O) =CS2

Molecular Formula

C56H85N9O11S

Molecular Weight

1092.39

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

Tubulysin AZ-1508

CAS Number	1817736-04-1
PubChem CID	118431298
IUPAC Name	(2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-3-[[(2S,3S)-2-[[(2R,4R)-1,4-dimethylpiperidine-2-carbonyl]amino]-3-methylpentanoyl]-ethylamino]-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-5-[4-[[(2S)-6-amino-2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]hexanoyl]amino]phenyl]-2-methylpentanoic acid
Molecular Formula	C56H85N9O11S
Molecular Weight	1092.4
XLogP	3.5
Topological Polar Surface Area	308
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	15
Rotatable Bond Count	33
Heavy Atom Count	77
Formal Charge	0
Complexity	2000

SMILES

CC[C@H](C)[C@@H](C(=O)N(CC)[C@H](C[C@H](C1=NC(=CS1)C(=O)N[C@@H](CC2=CC=C(C=C2)NC(=O)[C@H](CCCCN)NC(=O)CCCCCN3C(=O)C=CC3=O)C[C@H](C)C(=O)O)OC(=O)C)C(C)C)NC(=O)[C@H]4C[C@@H](CCN4C)C

InChI

InChI=1S/C56H85N9O11S/c1-10-36(6)50(62-53(72)45-29-35(5)25-28-63(45)9)55(73)64(11-2)44(34(3)4)32-46(76-38(8)66)54-61-43(33-77-54)52(71)59-41(30-37(7)56(74)75)31-39-19-21-40(22-20-39)58-51(70)42(17-14-15-26-57)60-47(67)18-13-12-16-27-65-48(68)23-24-49(65)69/h19-24,33-37,41-42,44-46,50H,10-18,25-32,57H2,1-9H3,(H,58,70)(H,59,71)(H,60,67)(H,62,72)(H,74,75)/t35-,36+,37+,41-,42+,44-,45-,46-,50+/m1/s1

InChIKey

DONIIAXVJUFSOY-FJTITLMZSA-N

Chemical Structure

2D Structure

CAS: 1817736-04-1

CID: 118431298

Formula: C56H85N9O11S

MW: 1092.4

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	1092.4
XLogP3	3.5
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	15
Rotatable Bond Count	33
Exact Mass	1091.60892573
Monoisotopic Mass	1091.60892573
Topological Polar Surface Area	308 Å²
Heavy Atom Count	77
Formal Charge	0
Complexity	2000
Isotope Atom Count	0
Defined Atom Stereocenter Count	9
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

AZ1508

Chemical Information

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