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SC209

CAT: 0931-T74367-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T74367-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1977557-86-0
Target
Drug Metabolite, ADC Cytotoxin, EGFR
Related Pathways
Metabolism, Angiogenesis, Tyrosine Kinase/Adaptors, Antibody-drug Conjugate/ADC Related, JAK/STAT signaling
Bioactivity
SC209, an ADC cytotoxin and metabolite of STRO-002 [1] [2], is utilized in the synthesis of anti-EGFR antibody-drug conjugate ADC.
Smiles
CN[C@H](C(=O)N[C@H](C(=O)N(C)[C@H](\C=C(/C)C(O)=O)C(C)C)C(C)(C)C)C(C)(C)c1cccc(N)c1
Molecular Formula
C27H44N4O4
Molecular Weight
488.66
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

CID 122467623
CAS Number1977557-86-0
PubChem CID122467623
IUPAC Name(E,4S)-4-[[(2S)-2-[[(2S)-3-(3-aminophenyl)-3-methyl-2-(methylamino)butanoyl]amino]-3,3-dimethylbutanoyl]-methylamino]-2,5-dimethylhex-2-enoic acid
Molecular FormulaC27H44N4O4
Molecular Weight488.7
XLogP1.9
Topological Polar Surface Area125
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count11
Heavy Atom Count35
Formal Charge0
Complexity785
SMILES
CC(C)[C@@H](/C=C(\C)/C(=O)O)N(C)C(=O)[C@H](C(C)(C)C)NC(=O)[C@H](C(C)(C)C1=CC(=CC=C1)N)NC
InChI
InChI=1S/C27H44N4O4/c1-16(2)20(14-17(3)25(34)35)31(10)24(33)22(26(4,5)6)30-23(32)21(29-9)27(7,8)18-12-11-13-19(28)15-18/h11-16,20-22,29H,28H2,1-10H3,(H,30,32)(H,34,35)/b17-14+/t20-,21-,22-/m1/s1
InChIKey
ILRXQTICSGMLFH-ZYRIPLEJSA-N
Chemical Structure
2D Structure
2D structure of CID 122467623
CAS: 1977557-86-0
CID: 122467623
Formula: C27H44N4O4
MW: 488.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight488.7
XLogP31.9
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count11
Exact Mass488.33625590
Monoisotopic Mass488.33625590
Topological Polar Surface Area125 Ų
Heavy Atom Count35
Formal Charge0
Complexity785
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

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BA2337-5.1SC209
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HY-47968-01SC209 intermediate-1

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