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Gly-Cyclopropane-Exatecan

CAT: 0931-T74735-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T74735-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2414254-49-0
Target
ADC Cytotoxin, Topoisomerase
Related Pathways
DNA Damage/DNA Repair, Antibody-drug Conjugate/ADC Related
Bioactivity
Gly-Cyclopropane-Exatecan, a DNA Topoisomerase I inhibitor containing Exatecan, is key in synthesizing the anti-B7-H4 ADC, specifically the ADC hu2F7-Exatecan (compound 34) . This compound demonstrated antitumor activity both in vivo and in vitro [1].
Smiles
CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4cc(F)c(C)c5CC[C@H](NC(=O)C(OCNC(=O)CN)C6CC6)c(c3Cn1c2=O)c45
Molecular Formula
C32H34FN5O7
Molecular Weight
619.64
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Gly-Cyclopropane-Exatecan
CAS Number2414254-49-0
PubChem CID155733579
IUPAC Name2-[[(2-aminoacetyl)amino]methoxy]-2-cyclopropyl-N-[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]acetamide
Molecular FormulaC32H34FN5O7
Molecular Weight619.6
XLogP-0.2
Topological Polar Surface Area173
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count10
Rotatable Bond Count8
Heavy Atom Count45
Formal Charge0
Complexity1350
SMILES
CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=C5[C@H](CCC6=C5C(=CC(=C6C)F)N=C4C3=C2)NC(=O)C(C7CC7)OCNC(=O)CN)O
InChI
InChI=1S/C32H34FN5O7/c1-3-32(43)19-8-23-27-17(11-38(23)30(41)18(19)12-44-31(32)42)26-21(7-6-16-14(2)20(33)9-22(36-27)25(16)26)37-29(40)28(15-4-5-15)45-13-35-24(39)10-34/h8-9,15,21,28,43H,3-7,10-13,34H2,1-2H3,(H,35,39)(H,37,40)/t21-,28?,32-/m0/s1
InChIKey
CEFSJFYTDCGHFB-XXCFHSPASA-N
Chemical Structure
2D Structure
2D structure of Gly-Cyclopropane-Exatecan
CAS: 2414254-49-0
CID: 155733579
Formula: C32H34FN5O7
MW: 619.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight619.6
XLogP3-0.2
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count10
Rotatable Bond Count8
Exact Mass619.24422660
Monoisotopic Mass619.24422660
Topological Polar Surface Area173 Ų
Heavy Atom Count45
Formal Charge0
Complexity1350
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
TYD-02798-01Gly- (S) -Cyclopropane-Exatecan
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T77888-01Mal-PEG2-Gly-Gly-Phe-Gly-Exatecan
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T89613-01Gly-Gly-Phe-Gly-NH-O-CO-Exatecan
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Alternative Products

CatalogName
MBS5816673Gly-Cyclopropane-Exatecan
HY-148696BGly- (S) -Cyclopropane-Exatecan
HY-148668A-01MC-Gly-Gly-Phe-Gly- (S) -Cyclopropane-Exatecan
MBS5816661MC-Gly-Gly-Phe-Gly-(R)-Cyclopropane-Exatecan
HY-148668-01MC-Gly-Gly-Phe-Gly- (R) -Cyclopropane-Exatecan
MBS5816662MC-Gly-Gly-Phe-Gly-(S)-Cyclopropane-Exatecan
BA2707-5MC-Gly-Gly-Phe-Gly-GABA-Exatecan
BA2667-5Mal-PEG2-Gly-Gly-Phe-Gly-Exatecan
HY-147307-01MC-Gly-Gly-Phe-Gly-Cyclobutanecarboxylic-Exatecan
HY-153067Mal-cyclohexane-Gly-Gly-Phe-Gly-Exatecan

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