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Caprazene

CAT: 0804-HY-N12823-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-N12823-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Caprazene is an antimycobacterial compound and precursor molecule for semi-synthetic antibacterial antibiotics, used for studies on tuberculosis and Mycobacterium avium complex infections, which can be isolated from the acid-treated caprazamycin (CPZ) A-G mixture[1].
CAS Number
740805-17-8
UNSPSC
12352005
Target
Bacterial
Type
Natural Products
Related Pathways
Anti-infection
Applications
Metabolism-protein/nucleotide metabolism
Field of Research
Metabolic Disease
Assay Protocol
https://www.medchemexpress.com/caprazene.html
Smiles
NC[C@H]([C@H]([C@H]1O)O)O[C@H]1O[C@@H]([C@@]2([H])C(N(C(C(O)=O)=CCN2C)C)=O)[C@@]3([H])O[C@@H](N4C(NC(C=C4)=O)=O)[C@@H]([C@@H]3O)O
Molecular Formula
C22H31N5O12
Molecular Weight
557.51
References & Citations
[1]Takahashi Y, et al.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Caprazene
CAS Number740805-17-8
PubChem CID68249819
IUPAC Name(2S)-2-[[(2S,3R,4S,5R)-5-(aminomethyl)-3,4-dihydroxyoxolan-2-yl]oxy-[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-1,4-dimethyl-3-oxo-2,7-dihydro-1,4-diazepine-5-carboxylic acid
Molecular FormulaC22H31N5O12
Molecular Weight557.5
XLogP-7
Topological Polar Surface Area245
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count14
Rotatable Bond Count7
Heavy Atom Count39
Formal Charge0
Complexity1070
SMILES
CN1CC=C(N(C(=O)[C@@H]1C([C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)O[C@H]4[C@@H]([C@@H]([C@H](O4)CN)O)O)C)C(=O)O
InChI
InChI=1S/C22H31N5O12/c1-25-5-3-8(20(34)35)26(2)18(33)11(25)16(39-21-15(32)12(29)9(7-23)37-21)17-13(30)14(31)19(38-17)27-6-4-10(28)24-22(27)36/h3-4,6,9,11-17,19,21,29-32H,5,7,23H2,1-2H3,(H,34,35)(H,24,28,36)/t9-,11+,12-,13+,14-,15-,16?,17+,19-,21+/m1/s1
InChIKey
NNRRJUQQUMBTMH-LCMDQALXSA-N
Chemical Structure
2D Structure
2D structure of Caprazene
CAS: 740805-17-8
CID: 68249819
Formula: C22H31N5O12
MW: 557.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight557.5
XLogP3-7
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count14
Rotatable Bond Count7
Exact Mass557.19692144
Monoisotopic Mass557.19692144
Topological Polar Surface Area245 Ų
Heavy Atom Count39
Formal Charge0
Complexity1070
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
TN7934-01Caprazene

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