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Bromotubercidin

CAT: 0013-GTR19208649-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19208649-02Size:50 mg
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Description
Bromotubercidin is a biochemical agent that reversibly inhibits RNA synthesis. This small molecule inhibitor is utilized in molecular biology research to study transcription mechanisms and has been applied in both in vitro enzymatic assays and cellular studies.
CAS Number
21193-80-6
Smiles
Nc1ncnc2n (cc (Br) c12) [C@@H]1O[C@H] (CO) [C@@H] (O) [C@H]1O
Molecular Formula
C11H13BrN4O4
Molecular Weight
345.15
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Bromotubercidin
CAS Number21193-80-6
PubChem CID97186
IUPAC Name(2R,3R,4S,5R)-2-(4-amino-5-bromopyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Molecular FormulaC11H13BrN4O4
Molecular Weight345.15
XLogP-0.7
Topological Polar Surface Area127
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count2
Heavy Atom Count20
Formal Charge0
Complexity365
SMILES
C1=C(C2=C(N=CN=C2N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N)Br
InChI
InChI=1S/C11H13BrN4O4/c12-4-1-16(10-6(4)9(13)14-3-15-10)11-8(19)7(18)5(2-17)20-11/h1,3,5,7-8,11,17-19H,2H2,(H2,13,14,15)/t5-,7-,8-,11-/m1/s1
InChIKey
ZWTPRQXZXQEKFT-IOSLPCCCSA-N
Chemical Structure
2D Structure
2D structure of Bromotubercidin
CAS: 21193-80-6
CID: 97186
Formula: C11H13BrN4O4
MW: 345.15
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight345.15
XLogP3-0.7
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count2
Exact Mass344.01202
Monoisotopic Mass344.01202
Topological Polar Surface Area127 Ų
Heavy Atom Count20
Formal Charge0
Complexity365
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T71898-01Bromotubercidin
TRC-B702600-1MG5-Bromotubercidin
MBS256062-016- Bromotubercidin (8- Bromo- 7- deazaadenosine, 6-Br-Tu)
B 013-056- Bromotubercidin (6-Br-Tu) / 8- Bromo- 7- deazaadenosine (8-Br-7-CH-Ado)

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