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MB710

CAT: 0931-T9661-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T9661-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2230044-57-0
Target
MDM-2/p53, Mdm2, p53
Related Pathways
Apoptosis
Purity
0.9902
Bioactivity
MB710 is an amino benzothiazole derivative that binds tightly to the Y220C pocket and stabilizes p53-Y220C in vitro. It exhibits anticancer activity and can be used in cancer research.
Smiles
O=C(O)C=1C(O)=C(I)C(=C2SC(=NC21)N(CC)CC)N3C=CC=C3
Molecular Formula
C16H16IN3O3S
Molecular Weight
457.29
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-(Diethylamino)-6-iodanyl-5-oxidanyl-7-pyrrol-1-yl-1,3-benzothiazole-4-carboxylic acid
CAS Number2230044-57-0
PubChem CID133082032
IUPAC Name2-(diethylamino)-5-hydroxy-6-iodo-7-pyrrol-1-yl-1,3-benzothiazole-4-carboxylic acid
Molecular FormulaC16H16IN3O3S
Molecular Weight457.3
XLogP4.3
Topological Polar Surface Area107
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count24
Formal Charge0
Complexity462
SMILES
CCN(CC)C1=NC2=C(C(=C(C(=C2S1)N3C=CC=C3)I)O)C(=O)O
InChI
InChI=1S/C16H16IN3O3S/c1-3-19(4-2)16-18-11-9(15(22)23)13(21)10(17)12(14(11)24-16)20-7-5-6-8-20/h5-8,21H,3-4H2,1-2H3,(H,22,23)
InChIKey
SEBJATZOIHUGAU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(Diethylamino)-6-iodanyl-5-oxidanyl-7-pyrrol-1-yl-1,3-benzothiazole-4-carboxylic acid
CAS: 2230044-57-0
CID: 133082032
Formula: C16H16IN3O3S
MW: 457.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight457.3
XLogP34.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass456.99571
Monoisotopic Mass456.99571
Topological Polar Surface Area107 Ų
Heavy Atom Count24
Formal Charge0
Complexity462
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
564327MB710

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