SC239

CAT: 0931-T77864-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0931-T77864-01Size:5 mg

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CAS Number

1977557-97-3

Target

Drug-Linker Conjugates for ADC

Related Pathways

Antibody-drug Conjugate/ADC Related

Bioactivity

SC239 is a 2-aminophenyl hemiasterlin-based agent-linker suitable for antibody-drug conjugate (ADC) applications. It features a tubulin-targeting warhead, SC209, connected through a cleavable valine-citrulline p-aminobenzyl carbamate linker equipped with dibenzocyclooctyne (DBCO) . This drug-linker displays enhanced cytotoxic activity in Igrov1 cells with lower FolRα expression levels.

Smiles

C(CCC(N[C@H](C(N[C@H](C(NC1=CC=C(COC(NC2=CC(C([C@@H](C(N[C@H](C(N([C@H](/C=C(/C(O)=O)\C)C(C)C)C)=O)[C@](C)(C)C)=O)NC)(C)C)=CC=C2)=O)C=C1)=O)CCCNC(N)=O)=O)C(C)C)=O)(=O)N3C=4C(C#CC=5C(C3)=CC=CC5)=CC=CC4

Molecular Formula

C65H84N10O11

Molecular Weight

1181.42

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

CID 122467542

CAS Number	1977557-97-3
PubChem CID	122467542
IUPAC Name	(E,4S)-4-[[(2S)-2-[[(2S)-3-[3-[[4-[[(2S)-2-[[(2S)-2-[[4-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-4-oxobutanoyl]amino]-3-methylbutanoyl]amino]-5-(carbamoylamino)pentanoyl]amino]phenyl]methoxycarbonylamino]phenyl]-3-methyl-2-(methylamino)butanoyl]amino]-3,3-dimethylbutanoyl]-methylamino]-2,5-dimethylhex-2-enoic acid
Molecular Formula	C65H84N10O11
Molecular Weight	1181.4
XLogP	4.9
Topological Polar Surface Area	300
Hydrogen Bond Donor Count	9
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	28
Heavy Atom Count	86
Formal Charge	0
Complexity	2450

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)NC(=O)OCC2=CC=C(C=C2)NC(=O)[C@H](CCCNC(=O)N)NC(=O)[C@H](C(C)C)NC(=O)CCC(=O)N3CC4=CC=CC=C4C#CC5=CC=CC=C53)NC

InChI

InChI=1S/C65H84N10O11/c1-39(2)51(35-41(5)61(82)83)74(12)60(81)56(64(6,7)8)73-59(80)55(67-11)65(9,10)46-22-17-23-48(36-46)70-63(85)86-38-42-26-30-47(31-27-42)69-57(78)49(24-18-34-68-62(66)84)71-58(79)54(40(3)4)72-52(76)32-33-53(77)75-37-45-21-14-13-19-43(45)28-29-44-20-15-16-25-50(44)75/h13-17,19-23,25-27,30-31,35-36,39-40,49,51,54-56,67H,18,24,32-34,37-38H2,1-12H3,(H,69,78)(H,70,85)(H,71,79)(H,72,76)(H,73,80)(H,82,83)(H3,66,68,84)/b41-35+/t49-,51+,54-,55+,56+/m0/s1

InChIKey

ZMSFFQZNTRZZJB-QUAMOIMISA-N

Chemical Structure

2D Structure

CAS: 1977557-97-3

CID: 122467542

Formula: C65H84N10O11

MW: 1181.4

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	1181.4
XLogP3	4.9
Hydrogen Bond Donor Count	9
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	28
Exact Mass	1180.63210353
Monoisotopic Mass	1180.63210353
Topological Polar Surface Area	300 Å²
Heavy Atom Count	86
Formal Charge	0
Complexity	2450
Isotope Atom Count	0
Defined Atom Stereocenter Count	5
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Related Products

Catalog	Name
T74367-01	SC209
T87918-01	SC209 intermediate-2
T84827-01	SC209 intermediate-1

Alternative Products

Catalog	Name
BA2714-1	SC239

SC239

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