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MC-GGFG-DX8951

CAT: 0931-T16024-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T16024-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1600418-29-8
Target
Drug-Linker Conjugates for ADC, Topoisomerase
Related Pathways
Antibody-drug Conjugate/ADC Related, DNA Damage/DNA Repair
Purity
0.9904
Bioactivity
MC-GGFG-DX8951 (MC-GGFG-Exatecan) is an antibody-coupled drug (ADC) drug-linker conjugate (DLC) consisting of DX8951, a potent DNA topoisomerase I inhibitor, the linker MC, and the cleavable peptide chain GGFG, and has antitumor potential.
Smiles
N(C(CNC([C@H](CC1=CC=CC=C1)NC(CNC(CNC(CCCCCN2C(=O)C=CC2=O)=O)=O)=O)=O)=O)[C@@H]3C4=C5C(C=6N(C5)C(=O)C7=C(C6)[C@](CC)(O)C(=O)OC7)=NC=8C4=C(CC3)C(C)=C(F)C8
Molecular Formula
C49H51FN8O11
Molecular Weight
946.98
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

MC-GGFG-Exatecan
CAS Number1600418-29-8
PubChem CID118567450
IUPAC Name6-(2,5-dioxopyrrol-1-yl)-N-[2-[[2-[[(2S)-1-[[2-[[(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]amino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]hexanamide
Molecular FormulaC49H51FN8O11
Molecular Weight947.0
XLogP0.3
Topological Polar Surface Area263
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count13
Rotatable Bond Count18
Heavy Atom Count69
Formal Charge0
Complexity2170
SMILES
CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=C5[C@H](CCC6=C5C(=CC(=C6C)F)N=C4C3=C2)NC(=O)CNC(=O)[C@H](CC7=CC=CC=C7)NC(=O)CNC(=O)CNC(=O)CCCCCN8C(=O)C=CC8=O)O
InChI
InChI=1S/C49H51FN8O11/c1-3-49(68)31-19-36-45-29(24-58(36)47(66)30(31)25-69-48(49)67)44-33(14-13-28-26(2)32(50)20-34(56-45)43(28)44)54-40(62)23-53-46(65)35(18-27-10-6-4-7-11-27)55-39(61)22-52-38(60)21-51-37(59)12-8-5-9-17-57-41(63)15-16-42(57)64/h4,6-7,10-11,15-16,19-20,33,35,68H,3,5,8-9,12-14,17-18,21-25H2,1-2H3,(H,51,59)(H,52,60)(H,53,65)(H,54,62)(H,55,61)/t33-,35-,49-/m0/s1
InChIKey
XEKFDUNPKACYAY-SODISJPWSA-N
Chemical Structure
2D Structure
2D structure of MC-GGFG-Exatecan
CAS: 1600418-29-8
CID: 118567450
Formula: C49H51FN8O11
MW: 947.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight947.0
XLogP30.3
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count13
Rotatable Bond Count18
Exact Mass946.36613263
Monoisotopic Mass946.36613263
Topological Polar Surface Area263 Ų
Heavy Atom Count69
Formal Charge0
Complexity2170
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

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MBS3843241-01MC-GGFG-DX8951
A18781-100MC-GGFG-DX8951 100mg
A18781-10MC-GGFG-DX8951 10mg
A18781-50MC-GGFG-DX8951 50mg
A18781-25MC-GGFG-DX8951 25mg
A18781-5MC-GGFG-DX8951 5mg
A18781-2MC-GGFG-DX8951 2mg
A18781-1MC-GGFG-DX8951 1mg
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