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Rha-PEG3-SMCC

CAT: 0931-T81280-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T81280-02Size:50 mg
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CAS Number
2794904-62-2
Target
Drug-Linker Conjugates for ADC
Related Pathways
Antibody-drug Conjugate/ADC Related
Bioactivity
Rha-PEG3-SMCC (Compound 13) serves as an ADC (antibody-drug conjugate) linkage agent with robust antitumor properties, utilizing the protein crosslinker SMCC, which is tethered through the non-cleavable linker Rha-PEG3.
Smiles
C(C1CCC(C(NCCOCCOCCO[C@H]2[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O2)=O)CC1)N3C(=O)C=CC3=O
Molecular Formula
C24H38N2O10
Molecular Weight
514.57
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Rha-PEG3-SMCC
CAS Number2794904-62-2
PubChem CID163196287
IUPAC Name4-[(2,5-dioxopyrrol-1-yl)methyl]-N-[2-[2-[2-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyethoxy]ethoxy]ethyl]cyclohexane-1-carboxamide
Molecular FormulaC24H38N2O10
Molecular Weight514.6
XLogP-1.9
Topological Polar Surface Area164
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count10
Rotatable Bond Count13
Heavy Atom Count36
Formal Charge0
Complexity752
SMILES
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OCCOCCOCCNC(=O)C2CCC(CC2)CN3C(=O)C=CC3=O)O)O)O
InChI
InChI=1S/C24H38N2O10/c1-15-20(29)21(30)22(31)24(36-15)35-13-12-34-11-10-33-9-8-25-23(32)17-4-2-16(3-5-17)14-26-18(27)6-7-19(26)28/h6-7,15-17,20-22,24,29-31H,2-5,8-14H2,1H3,(H,25,32)/t15-,16?,17?,20-,21+,22+,24+/m0/s1
InChIKey
CLOIIBZJFRYAHR-LDTYLSHESA-N
Chemical Structure
2D Structure
2D structure of Rha-PEG3-SMCC
CAS: 2794904-62-2
CID: 163196287
Formula: C24H38N2O10
MW: 514.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight514.6
XLogP3-1.9
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count10
Rotatable Bond Count13
Exact Mass514.25264541
Monoisotopic Mass514.25264541
Topological Polar Surface Area164 Ų
Heavy Atom Count36
Formal Charge0
Complexity752
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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