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CL2A-SN-38

CAT: 0931-T17731-03Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T17731-03Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1279680-68-0
Target
Drug-Linker Conjugates for ADC
Related Pathways
Antibody-drug Conjugate/ADC Related
Purity
0.956
Bioactivity
CL2A-SN-38 consists of a CL2A linker and an anticancer compound, SN-38, which delivers active molecules within tumor cells and in the tumor microenvironment, often in conjunction with antibodies to make biologically active antibody-coupled reactive molecules (ADCs) .
Smiles
CCc1c2Cn3c(cc4c(COC(=O)[C@@]4(CC)OC(=O)OCc4ccc(NC(=O)[C@H](CCCCN)NC(=O)COCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCn5cc(CNC(=O)C6CCC(CN7C(=O)C=CC7=O)CC6)nn5)cc4)c3=O)-c2nc2ccc(O)cc12
Molecular Formula
C73H97N11O22
Molecular Weight
1480.61
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

CL2A-SN-38
CAS Number1279680-68-0
PubChem CID89983570
IUPAC Name[4-[[(2S)-6-amino-2-[[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[4-[[[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexanecarbonyl]amino]methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]acetyl]amino]hexanoyl]amino]phenyl]methyl [(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] carbonate
Molecular FormulaC73H97N11O22
Molecular Weight1480.6
XLogP-0.1
Topological Polar Surface Area409
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count26
Rotatable Bond Count50
Heavy Atom Count106
Formal Charge0
Complexity2930
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)C=CC8=O)C2=NC9=C1C=C(C=C9)O
InChI
InChI=1S/C73H97N11O22/c1-3-55-56-39-54(85)16-17-60(56)79-67-57(55)44-83-62(67)40-59-58(70(83)92)46-104-71(93)73(59,4-2)106-72(94)105-45-50-10-14-52(15-11-50)77-69(91)61(7-5-6-20-74)78-64(87)48-103-47-63(86)75-21-23-95-25-27-97-29-31-99-33-35-101-37-38-102-36-34-100-32-30-98-28-26-96-24-22-82-43-53(80-81-82)41-76-68(90)51-12-8-49(9-13-51)42-84-65(88)18-19-66(84)89/h10-11,14-19,39-40,43,49,51,61,85H,3-9,12-13,20-38,41-42,44-48,74H2,1-2H3,(H,75,86)(H,76,90)(H,77,91)(H,78,87)/t49?,51?,61-,73-/m0/s1
InChIKey
CMVRBCDBISKHME-URBSQPMJSA-N
Chemical Structure
2D Structure
2D structure of CL2A-SN-38
CAS: 1279680-68-0
CID: 89983570
Formula: C73H97N11O22
MW: 1480.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1480.6
XLogP3-0.1
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count26
Rotatable Bond Count50
Exact Mass1479.68096376
Monoisotopic Mass1479.68096376
Topological Polar Surface Area409 Ų
Heavy Atom Count106
Formal Charge0
Complexity2930
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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T17732-01CL2A
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T205789-01CL2A-Chimmitecan
T205100-01CL2A-FL118
T18722-01MAC glucuronide α-hydroxy lactone-linked SN-38

Alternative Products

CatalogName
BA2624-50CL2A-SN-38
A18392-5CL2A-SN-38 5mg
A18392-50CL2A-SN-38 50mg
A18392-100CL2A-SN-38 100mg
A18392-10CL2A-SN-38 10mg
A18392-25CL2A-SN-38 25mg
A18392-1CL2A-SN-38 1mg
MBS3612640-01CL2A-SN-38 DCA 1279680-68-0(free base)
MBS5755751CL2A-SN-38 DCA 1279680-68-0 (free base)
BUP14103-01SN-38

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