TL033

CAT: 0013-GTR19264744-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19264744-01Size:50 mg

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Description

TL033 forms a component of an antibody-drug conjugate (ADC) as a drug-linker conjugate. It comprises a linker and a bioactive small molecule toxin. TL033 can be conjugated with the Sacituzumab antibody (anti-Trop-2) to synthesize BT001021, which exhibits anticancer activity against various cancers, including breast cancer, non-small cell lung cancer (NSCLC), and gastric cancer.

CAS Number

2356230-22-1

Smiles

O=C1N2C (C=3C (C2) =C (CCN (S (C) (=O) =O) C (C) C) C=4C (N3) =CC=CC4) =CC5=C1COC (=O) [C@]5 (OC (OCC6=CC=C (NC ([C@@H] (NC (COCC (NCCOCCOCCOCCOCCOCCOCCOCCOCCN7C=C (CNC (CCCC#CC=8C=NC (S (C) (=O) =O) =NC8) =O) N=N7) =O) =O) CCCCN) =O) C=C6) =O) CC

Molecular Formula

C76H103N13O23S2

Molecular Weight

1630.83

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

4-((S)-2-(4-aminobutyl)-35-(4-((6-(2-(methylsulfonyl)pyrimidin-5-yl)hex-5-ynamido)methyl)-1H-1,2,3-triazol-1-yl)-4,8-dioxo-6,12,15,18,21,24,27,30,33-nonaoxa-3,9-diazapentatriacontanamido)benzyl ((S)-4-ethyl-11-(2-(N-isopropylmethylsulfonamido)ethyl)-3,14-dioxo-3,4,12,14-tetrahydro-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-4-yl) carbonate

CAS Number	2356230-22-1
PubChem CID	155633767
IUPAC Name	[4-[[(2S)-6-amino-2-[[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[4-[[6-(2-methylsulfonylpyrimidin-5-yl)hex-5-ynoylamino]methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]acetyl]amino]hexanoyl]amino]phenyl]methyl [(19S)-19-ethyl-10-[2-[methylsulfonyl(propan-2-yl)amino]ethyl]-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl] carbonate
Molecular Formula	C76H103N13O23S2
Molecular Weight	1630.8
XLogP	-0.4
Topological Polar Surface Area	465
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	30
Rotatable Bond Count	56
Heavy Atom Count	114
Formal Charge	0
Complexity	3400

SMILES

CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=C(C5=CC=CC=C5N=C4C3=C2)CCN(C(C)C)S(=O)(=O)C)OC(=O)OCC6=CC=C(C=C6)NC(=O)[C@H](CCCCN)NC(=O)COCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCN7C=C(N=N7)CNC(=O)CCCC#CC8=CN=C(N=C8)S(=O)(=O)C

InChI

InChI=1S/C76H103N13O23S2/c1-6-76(63-44-66-70-61(49-88(66)72(94)62(63)51-110-73(76)95)59(60-15-10-11-16-64(60)84-70)23-26-89(54(2)3)114(5,99)100)112-75(96)111-50-55-19-21-57(22-20-55)82-71(93)65(17-12-13-24-77)83-69(92)53-109-52-68(91)78-25-28-101-30-32-103-34-36-105-38-40-107-42-43-108-41-39-106-37-35-104-33-31-102-29-27-87-48-58(85-86-87)47-79-67(90)18-9-7-8-14-56-45-80-74(81-46-56)113(4,97)98/h10-11,15-16,19-22,44-46,48,54,65H,6-7,9,12-13,17-18,23-43,47,49-53,77H2,1-5H3,(H,78,91)(H,79,90)(H,82,93)(H,83,92)/t65-,76-/m0/s1

InChIKey

WGCSCLOBJFRDGY-RSUVTLIVSA-N

Chemical Structure

2D Structure

CAS: 2356230-22-1

CID: 155633767

Formula: C76H103N13O23S2

MW: 1630.8

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	1630.8
XLogP3	-0.4
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	30
Rotatable Bond Count	56
Exact Mass	1629.67311893
Monoisotopic Mass	1629.67311893
Topological Polar Surface Area	465 Å²
Heavy Atom Count	114
Formal Charge	0
Complexity	3400
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
HY-147340-01	TL033
T212019-01	TL033 TFA
HY-147340A-01	TL033 (TFA)

TL033

Chemical Information

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