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SC239

CAT: 0804-HY-148194-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-148194-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
SC239 is a cleavable 2-aminophenyl hemiasterlin agent-linker. SC239 can be as the agent-linker for ADC[1]. SC239 is a click chemistry reagent, it contains a DBCO group that can undergo strain-promoted alkyne-azide cycloaddition (SPAAC) with molecules containing Azide groups.
CAS Number
1977557-97-3
UNSPSC
12352203
Target
Drug-Linker Conjugates for ADC
Type
ADC Related
Related Pathways
Antibody-drug Conjugate/ADC Related
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/sc239.html
Purity
99.97
Solubility
DMSO : 75 mg/mL (ultrasonic)
Smiles
O=C(N1C2=CC=CC=C2C#CC3=CC=CC=C3C1)CCC(N[C@@H](C(C)C)C(N[C@@H](CCCNC(N)=O)C(NC(C=C4)=CC=C4COC(NC5=CC(C(C)(C)[C@H](NC)C(N[C@@H](C(C)(C)C)C(N(C)[C@@H](C(C)C)/C=C(C)/C(O)=O)=O)=O)=CC=C5)=O)=O)=O)=O
Molecular Formula
C65H84N10O11
Molecular Weight
1181.42
References & Citations
[1]Xiaofan Li, et al. Abstract 1782: Discovery and activity of STRO-002, a novel ADC targeting folate receptor alpha for ovarian and endometrial cancer. Cancer Res (2018) 78 (13_Supplement) : 1782.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, protect from light)
Scientific Category
ADC Related
Clinical Information
No Development Reported

Chemical Information

CID 122467542
CAS Number1977557-97-3
PubChem CID122467542
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 FormulaC65H84N10O11
Molecular Weight1181.4
XLogP4.9
Topological Polar Surface Area300
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count12
Rotatable Bond Count28
Heavy Atom Count86
Formal Charge0
Complexity2450
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
2D structure of CID 122467542
CAS: 1977557-97-3
CID: 122467542
Formula: C65H84N10O11
MW: 1181.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1181.4
XLogP34.9
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count12
Rotatable Bond Count28
Exact Mass1180.63210353
Monoisotopic Mass1180.63210353
Topological Polar Surface Area300 Ų
Heavy Atom Count86
Formal Charge0
Complexity2450
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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