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Sp-5,6-Dichloro-cBIMPS

CAT: 1106-BML-CN120-0001Size: 1 mgDry Ice: NoHazardous: No
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CAT#:1106-BML-CN120-0001Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
120912-54-1
Certification
RUO
Target
PKA
Type
Activator
Source
Synthetic.
Stability
As indicated on product label or CoA when stored as recommended. Store, as supplied, at -20°C for up to 1 year. Store solutions at -20°C for up to 3 months.
Purity
≥98% (HPLC)
Solubility
Soluble in DMSO (167 mM), dimethyl formamide (167 mM), 96 % ethanol (167 mM), methanol (25 mM), water (25 mM) and aqueous buffers such as phostphate buffered saline (pH 7.4; 1.4 mM), 25 mM TRIS (pH 7.4-; 25 mM), 25 mM HEPES (pH 7.2; 35.7 mM) or Na2HPO4.
Molecular Formula
C 12 H 10 N 2 O 5 PSCl 2 . Na
Molecular Weight
419.2
Shipping Conditions
Ambient Temperature
Storage Conditions
-20°C
Appearance
White solid.

Chemical Information

(7R,8R)-7-(5,6-dichlorobenzimidazol-1-yl)-5a,7,8,8a-tetrahydro-5H-furo[3,2-e][1,4,2,3]dioxathiaphosphepine-5,8-diol
CAS Number120912-54-1
PubChem CID5487206
IUPAC Name(7R,8R)-7-(5,6-dichlorobenzimidazol-1-yl)-5a,7,8,8a-tetrahydro-5H-furo[3,2-e][1,4,2,3]dioxathiaphosphepine-5,8-diol
Molecular FormulaC12H11Cl2N2O5PS
Molecular Weight397.2
XLogP1.4
Topological Polar Surface Area111
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count1
Heavy Atom Count23
Formal Charge0
Complexity458
SMILES
C1=C2C(=CC(=C1Cl)Cl)N(C=N2)[C@H]3[C@@H](C4C(O3)C(OSPO4)O)O
InChI
InChI=1S/C12H11Cl2N2O5PS/c13-4-1-6-7(2-5(4)14)16(3-15-6)11-8(17)9-10(19-11)12(18)21-23-22-20-9/h1-3,8-12,17-18,22H/t8-,9?,10?,11-,12?,22?/m1/s1
InChIKey
NCXQEYBSXYJLGP-SBTLNALPSA-N
Chemical Structure
2D Structure
2D structure of (7R,8R)-7-(5,6-dichlorobenzimidazol-1-yl)-5a,7,8,8a-tetrahydro-5H-furo[3,2-e][1,4,2,3]dioxathiaphosphepine-5,8-diol
CAS: 120912-54-1
CID: 5487206
Formula: C12H11Cl2N2O5PS
MW: 397.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight397.2
XLogP31.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count1
Exact Mass395.9503350
Monoisotopic Mass395.9503350
Topological Polar Surface Area111 Ų
Heavy Atom Count23
Formal Charge0
Complexity458
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count3
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

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GTR19212679-01Sp-5,6-DCl-cBIMPS
466405-01Sp-5,6-DCI-cBiMPS
HY-137638A-01Sp-5,6-DCl-cBIMPS (sodium)
MBS256561-015, 6- Dichlorobenzimidazole riboside- 3', 5' - cyclic monophosphorothioate, Sp- isomer (Sp-5,6-DCl-cBIMPS)
D 014-055, 6- Dichlorobenzimidazole riboside- 3', 5'- cyclic monophosphorothioate, Sp- isomer (Sp-5,6-DCl-cBIMPS), sodium salt
MBS256309-015, 6- Dichlorobenzimidazole riboside- 3', 5' - cyclic monophosphorothioate, Rp- isomer (Rp-5,6-DCl-cBIMPS)
OR301317-015,6-Dichloro-indanone
T 0372- Trifluoromethyl- 1- β- D- ribofuranosylbenzimidazole- 3', 5'- cyclic monophosphorothioate, Sp- isomer (Sp-2-CF₃-cBIMPS)

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