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SC209 intermediate-1

CAT: 0013-GTR19233079-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19233079-02Size:50 mg
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Description
SC209 Intermediate-1 (Compound A7a) is a chemical linker designed for constructing antibody-drug conjugates (ADCs) . It enables the precise attachment of cytotoxic payloads to antibodies, a critical step in ADC development for oncology research in both in vitro and in vivo models.
CAS Number
1977557-93-9
Smiles
C ([C@H] (N (C (OC (C) (C) C) =O) C) C (O) =O) (C) (C) C1=CC (NC (OCC=C) =O) =CC=C1
Molecular Formula
C21H30N2O6
Molecular Weight
406.47
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

SC209 intermediate-1
CAS Number1977557-93-9
PubChem CID122467586
IUPAC Name(2S)-3-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-[3-(prop-2-enoxycarbonylamino)phenyl]butanoic acid
Molecular FormulaC21H30N2O6
Molecular Weight406.5
XLogP3.8
Topological Polar Surface Area105
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Heavy Atom Count29
Formal Charge0
Complexity611
SMILES
CC(C)(C)OC(=O)N(C)[C@H](C(=O)O)C(C)(C)C1=CC(=CC=C1)NC(=O)OCC=C
InChI
InChI=1S/C21H30N2O6/c1-8-12-28-18(26)22-15-11-9-10-14(13-15)21(5,6)16(17(24)25)23(7)19(27)29-20(2,3)4/h8-11,13,16H,1,12H2,2-7H3,(H,22,26)(H,24,25)/t16-/m1/s1
InChIKey
WZSKLNHEJZJMLY-MRXNPFEDSA-N
Chemical Structure
2D Structure
2D structure of SC209 intermediate-1
CAS: 1977557-93-9
CID: 122467586
Formula: C21H30N2O6
MW: 406.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight406.5
XLogP33.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Exact Mass406.21038668
Monoisotopic Mass406.21038668
Topological Polar Surface Area105 Ų
Heavy Atom Count29
Formal Charge0
Complexity611
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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