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TL033

CAT: 0804-HY-147340-03Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-147340-03Size:25 mg
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Description
TL033 is a drug-Linker conjugates for ADC. TL033 contains a linker and bioactive small molecule toxins. TL033 can conjugate with Sacituzumab antibody (anti Trop-2) for synthesizing BT001021. BT001021 has anti-cancer activities against various cancers, such as breast cancer, non-small cell lung cancer (NSCLC), gastric cancer[1].
CAS Number
2356230-22-1
UNSPSC
12352203
Target
Drug-Linker Conjugates for ADC
Related Pathways
Antibody-drug Conjugate/ADC Related
Applications
Cancer-programmed cell death
Field of Research
Cancer
Purity
98.11
Solubility
10 mM in DMSO
Smiles
O=C1N2C(C3=NC4=CC=CC=C4C(CCN(C(C)C)S(C)(=O)=O)=C3C2)=CC5=C1COC([C@@]5(CC)OC(OCC6=CC=C(C=C6)NC([C@H](CCCCN)NC(COCC(NCCOCCOCCOCCOCCOCCOCCOCCOCCN7C=C(N=N7)CNC(CCCC#CC8=CN=C(S(C)(=O)=O)N=C8)=O)=O)=O)=O)=O)=O
Molecular Formula
C76H103N13O23S2
Molecular Weight
1630.83
References & Citations
[1]Cai Jiaqiang, et al. Bioactive conjugate, preparation method therefor and use thereof. Patent CA3080236.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C (Powder, protect from light)
Scientific Category
ADC Related
Clinical Information
No Development Reported

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 Number2356230-22-1
PubChem CID155633767
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 FormulaC76H103N13O23S2
Molecular Weight1630.8
XLogP-0.4
Topological Polar Surface Area465
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count30
Rotatable Bond Count56
Heavy Atom Count114
Formal Charge0
Complexity3400
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
2D structure of 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: 2356230-22-1
CID: 155633767
Formula: C76H103N13O23S2
MW: 1630.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1630.8
XLogP3-0.4
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count30
Rotatable Bond Count56
Exact Mass1629.67311893
Monoisotopic Mass1629.67311893
Topological Polar Surface Area465 Ų
Heavy Atom Count114
Formal Charge0
Complexity3400
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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