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Sacituzumab govitecan

CAT: 0127-BUP20244Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP20244Size:1 mg
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CAS Number
1491917-83-9
Synonyms
IMMU-132
Purity
=95%
Smiles
O=C(C1=C(C)N(C2=CC=C(C3CC3)C=C2Cl)N=N1)NC4=C(C)N(C)N(C5CCCCC5)C4=O

Chemical Information

Sacituzumab Govitecan

Metastatic triple-negative breast cancer (mTNBC) is an aggressive form of breast cancer with limited treatment options involving cytotoxic chemotherapy agents. Targeted chemotherapy through the application of antibody-conjugated agents (ADCs) is a recent advance in cancer treatment. One such ADC is sacituzumab govitecan, which combines a humanized anti-trophoblast cell-surface antigen 2 (TROP-2) antibody with the topoisomerase I inhibitor SN-38. Sacituzumab govitecan was granted FDA approval on April 22nd, 2020 and is marketed under the brand name Trodelvy™ by Immunomedics, Inc.; it is currently indicated under accelerated approval for the treatment of mTNBC patients who have undergone two or more prior therapies. As a targeted cytotoxic agent, it is hoped to provide similar efficacy with reduced adverse effects. In November 2021 and July 20 2023, sacituzumab govitecan was also approved by the European Commission and Health Canada respectively.

CAS Number1491917-83-9
PubChem CID91668186
IUPAC Name(2R)-2-amino-3-[1-[[4-[[1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[2-[2-[[(2S)-6-amino-1-[4-[[(19S)-10,19-diethyl-7-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-19-yl]oxycarbonyloxymethyl]anilino]-1-oxohexan-2-yl]amino]-2-oxoethoxy]acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methylcarbamoyl]cyclohexyl]methyl]-2,5-dioxopyrrolidin-3-yl]sulfanylpropanoic acid
Molecular FormulaC76H104N12O24S
Molecular Weight1601.8
XLogP-3.3
Topological Polar Surface Area497
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count30
Rotatable Bond Count54
Heavy Atom Count113
Formal Charge0
Complexity3150
SMILES
CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)OC(=O)OCC5=CC=C(C=C5)NC(=O)[C@H](CCCCN)NC(=O)COCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCN6C=C(N=N6)CNC(=O)C7CCC(CC7)CN8C(=O)CC(C8=O)SC[C@@H](C(=O)O)N)C2=NC9=C1C=C(C=C9)O
InChI
InChI=1S/C76H104N12O24S/c1-3-55-56-37-54(89)16-17-61(56)83-68-57(55)43-87-63(68)38-59-58(71(87)95)45-110-74(99)76(59,4-2)112-75(100)111-44-50-10-14-52(15-11-50)81-70(94)62(7-5-6-18-77)82-66(91)47-109-46-65(90)79-19-21-101-23-25-103-27-29-105-31-33-107-35-36-108-34-32-106-30-28-104-26-24-102-22-20-86-42-53(84-85-86)40-80-69(93)51-12-8-49(9-13-51)41-88-67(92)39-64(72(88)96)113-48-60(78)73(97)98/h10-11,14-17,37-38,42,49,51,60,62,64,89H,3-9,12-13,18-36,39-41,43-48,77-78H2,1-2H3,(H,79,90)(H,80,93)(H,81,94)(H,82,91)(H,97,98)/t49?,51?,60-,62-,64?,76-/m0/s1
InChIKey
ULRUOUDIQPERIJ-PQURJYPBSA-N
Chemical Structure
2D Structure
2D structure of Sacituzumab Govitecan
CAS: 1491917-83-9
CID: 91668186
Formula: C76H104N12O24S
MW: 1601.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1601.8
XLogP3-3.3
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count30
Rotatable Bond Count54
Exact Mass1600.70071340
Monoisotopic Mass1600.70071340
Topological Polar Surface Area497 Ų
Heavy Atom Count113
Formal Charge0
Complexity3150
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

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CLA1052Sacituzumab govitecan
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HY-132254A-01Sacituzumab govitecan (solution)
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GTR18315622TROP2 Reference Antibody (Sacituzumab govitecan)
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GTR18594497-01Sacituzumab govitecan Biosimilar (TROP2 Reference Antibody)

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