Caprazene

CAT: 0013-GTR19233494-01Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19233494-01Size:1 mg

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Description

Caprazene is a semi-synthetic antibiotic precursor derived from the caprazamycin complex. It serves as a key research compound for studying anti-mycobacterial agents, with applications in tuberculosis and Mycobacterium avium complex (MAC) infection research, both in vitro and in vivo.

CAS Number

740805-17-8

Field of Research

Infectious Disease & Virology

Purity

99.94% (May vary between batches)

Smiles

[C@@H] (O[C@@H]1O[C@H] (CN) [C@@H] (O) [C@H]1O) ([C@]2 (O[C@H] ([C@H] (O) [C@@H]2O) N3C (=O) NC (=O) C=C3) [H]) [C@]4 (C (=O) N (C) C (C (O) =O) =CCN4C) [H]

Molecular Formula

C22H31N5O12

Molecular Weight

557.51

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

Caprazene

CAS Number	740805-17-8
PubChem CID	68249819
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 Formula	C22H31N5O12
Molecular Weight	557.5
XLogP	-7
Topological Polar Surface Area	245
Hydrogen Bond Donor Count	7
Hydrogen Bond Acceptor Count	14
Rotatable Bond Count	7
Heavy Atom Count	39
Formal Charge	0
Complexity	1070

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

CAS: 740805-17-8

CID: 68249819

Formula: C22H31N5O12

MW: 557.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	557.5
XLogP3	-7
Hydrogen Bond Donor Count	7
Hydrogen Bond Acceptor Count	14
Rotatable Bond Count	7
Exact Mass	557.19692144
Monoisotopic Mass	557.19692144
Topological Polar Surface Area	245 Å²
Heavy Atom Count	39
Formal Charge	0
Complexity	1070
Isotope Atom Count	0
Defined Atom Stereocenter Count	9
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Catalog	Name
TN7934-01	Caprazene

Caprazene

Chemical Information

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