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MB710

CAT: 0804-HY-120373-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-120373-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
MB710, an aminobenzothiazole derivative, is a stabilizer of oncogenic p53 mutation Y220C. MB710 binds tightly to the Y220C pocket and stabilizes p53-Y220C, with a Kd of 4.1 μM. MB710 shows anticancer activity in p53-Y220C cell lines[1].
CAS Number
2230044-57-0
UNSPSC
12352005
Target
MDM-2/p53
Type
Reference compound
Related Pathways
Apoptosis
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/mb710.html
Purity
98.81
Solubility
DMSO : 16.67 mg/mL (ultrasonic)
Smiles
O=C(C1=C2N=C(N(CC)CC)SC2=C(N3C=CC=C3)C(I)=C1O)O
Molecular Formula
C16H16IN3O3S
Molecular Weight
457.29
References & Citations
[1]Baud MGJ, et al. Aminobenzothiazole derivatives stabilize the thermolabile p53 cancer mutant Y220C and show anticancer activity in p53-Y220C cell lines. Eur J Med Chem. 2018;152:101-114.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

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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