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MC-SN38

CAT: 0013-GTR19189620Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19189620Size:5 mg
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Description
MC-SN38 is a non-cleavable drug-linker conjugate designed for antibody-drug conjugate (ADC) research. It delivers SN38, the active topoisomerase I-inhibiting metabolite of irinotecan, to target cells for the study of cytotoxicity in both in vitro and in vivo experimental models.
CAS Number
1473403-87-0
Smiles
CCc1c2Cn3c (cc4c (COC (=O) [C@@]4 (CC) OC (=O) CCCCCN4C (=O) C=CC4=O) c3=O) -c2nc2ccc (O) cc12
Molecular Formula
C32H31N3O8
Molecular Weight
585.60
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

CID 146673122
CAS Number1473403-87-0
PubChem CID146673122
IUPAC Name[(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] 6-(2,5-dioxopyrrol-1-yl)hexanoate
Molecular FormulaC32H31N3O8
Molecular Weight585.6
XLogP2.3
Topological Polar Surface Area143
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count10
Heavy Atom Count43
Formal Charge0
Complexity1300
SMILES
CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)OC(=O)CCCCCN5C(=O)C=CC5=O)C2=NC6=C1C=C(C=C6)O
InChI
InChI=1S/C32H31N3O8/c1-3-19-20-14-18(36)9-10-24(20)33-29-21(19)16-35-25(29)15-23-22(30(35)40)17-42-31(41)32(23,4-2)43-28(39)8-6-5-7-13-34-26(37)11-12-27(34)38/h9-12,14-15,36H,3-8,13,16-17H2,1-2H3/t32-/m0/s1
InChIKey
ACRMADURFCYBAU-YTTGMZPUSA-N
Chemical Structure
2D Structure
2D structure of CID 146673122
CAS: 1473403-87-0
CID: 146673122
Formula: C32H31N3O8
MW: 585.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight585.6
XLogP32.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count10
Exact Mass585.21111496
Monoisotopic Mass585.21111496
Topological Polar Surface Area143 Ų
Heavy Atom Count43
Formal Charge0
Complexity1300
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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HY-136170-01MC-SN38
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T205753-01MC-VC-PAB-DMEA-SN38
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HY-171738Anti-SLC34A2 (Lifastuzumab) -MC-Vc-PAB-SN38
ADC-W-1386Anti-IL4R -MC-Vc-PAB-SN38 ADC
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