Products for Research Use Only
RegisterLogin

Zoliflodacin (b)

CAT: 0013-GTR19157005-01Size: 100 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0013-GTR19157005-01Size:100 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
Zoliflodacin is a new antibiotic that inhibits DNA biosynthesis.
CAS Number
1245732-48-2
Purity
>98% (HPLC)
Smiles
CCCCCCCC (=O) O[C@H]1[C@H]2C (=C ([C@@H]1OC (=O) /C (=C\C) /C) C) [C@H]3[C@] ([C@H] (C[C@]2 (C) OC (=O) C) OC (=O) CCCCCCCCCCCNC (=O) C[C@@H] (C (=O) N[C@@H] (CCC (=O) N[C@@H] (CCC (=O) N[C@@H] (CCC (=O) N[C@@H] (CCC (=O) O) C (=O) O) C (=O) O) C (=O) O) C (=O) O) N) ([C@] (C (=O) O3) (C) O) O
Molecular Formula
C66H100N6O27?
Molecular Weight
1409.5
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

Mipsagargin

Mipsagargin has been used in trials studying the treatment of Prostate Cancer, Prostatic Neoplasms, Advanced Solid Tumors, Glioblastoma Multiforme, and Hepatocellular Carcinoma, among others.

CAS Number1245732-48-2
PubChem CID24772106
IUPAC Name(2S)-2-[[(4S)-4-[[(4S)-4-[[(4S)-4-[[(2S)-4-[[12-[[(3S,3aR,4S,6S,6aR,7S,8S,9bS)-6-acetyloxy-3,3a-dihydroxy-3,6,9-trimethyl-8-[(Z)-2-methylbut-2-enoyl]oxy-7-octanoyloxy-2-oxo-4,5,6a,7,8,9b-hexahydroazuleno[4,5-b]furan-4-yl]oxy]-12-oxododecyl]amino]-2-amino-4-oxobutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]pentanedioic acid
Molecular FormulaC66H100N6O27
Molecular Weight1409.5
XLogP-0.4
Topological Polar Surface Area530
Hydrogen Bond Donor Count13
Hydrogen Bond Acceptor Count28
Rotatable Bond Count50
Heavy Atom Count99
Formal Charge0
Complexity2990
SMILES
CCCCCCCC(=O)O[C@H]1[C@H]2C(=C([C@@H]1OC(=O)/C(=C\C)/C)C)[C@H]3[C@]([C@H](C[C@]2(C)OC(=O)C)OC(=O)CCCCCCCCCCCNC(=O)C[C@@H](C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)N)([C@](C(=O)O3)(C)O)O
InChI
InChI=1S/C66H100N6O27/c1-8-10-11-17-20-24-51(81)96-55-53-52(37(4)54(55)97-62(91)36(3)9-2)56-66(94,65(7,93)63(92)98-56)44(35-64(53,6)99-38(5)73)95-50(80)23-21-18-15-13-12-14-16-19-22-33-68-48(77)34-39(67)57(82)72-43(61(89)90)27-31-47(76)70-41(59(85)86)25-29-45(74)69-40(58(83)84)26-30-46(75)71-42(60(87)88)28-32-49(78)79/h9,39-44,53-56,93-94H,8,10-35,67H2,1-7H3,(H,68,77)(H,69,74)(H,70,76)(H,71,75)(H,72,82)(H,78,79)(H,83,84)(H,85,86)(H,87,88)(H,89,90)/b36-9-/t39-,40-,41-,42-,43-,44-,53+,54-,55-,56-,64-,65+,66+/m0/s1
InChIKey
UPYNTAIBQVNPIH-ODMLWHIESA-N
Chemical Structure
2D Structure
2D structure of Mipsagargin
CAS: 1245732-48-2
CID: 24772106
Formula: C66H100N6O27
MW: 1409.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1409.5
XLogP3-0.4
Hydrogen Bond Donor Count13
Hydrogen Bond Acceptor Count28
Rotatable Bond Count50
Exact Mass1408.66364194
Monoisotopic Mass1408.66364194
Topological Polar Surface Area530 Ų
Heavy Atom Count99
Formal Charge0
Complexity2990
Isotope Atom Count0
Defined Atom Stereocenter Count13
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
GTR19166328-01Zoliflodacin
GTR19157000-01Zoliflodacin
GTR19319500Influenza B (B/Malaysia)
GTR19009424Asialog. GM2, B.b.
GTR19009421Asialog. GM1, B.b.
GTR19009419Monosialog. GM1, B.b.
GTR19009408Disialog. GD1b, B.b.
GTR19009429Trisialog. GT1b, B.b.
GTR19009427Trisialog. GT1a, B.b.
GTR19009413Monosialog. GM4, B.b.

Alternative Products

CatalogName
469237-01Zoliflodacin
A22032-50Zoliflodacin 50mg
A22032-25Zoliflodacin 25mg
A22032-10Zoliflodacin 10mg
HY-17647RZoliflodacin (Standard)
MBS3612313-01Zoliflodacin(b)
A22032-100Zoliflodacin 100mg
A22032-1Zoliflodacin 1mg
A22032-500Zoliflodacin 500mg
A22032-5Zoliflodacin 5mg

Popular Products