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Prolylrapamycin

CAT: 0013-GTR19238381-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19238381-02Size:5 mg
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Description
Prolylrapamycin (21-Norrapamycin) is a rapamycin derivative with potent antifungal properties, demonstrating in vitro efficacy against Candida albicans, Saccharomyces cerevisiae, and Fusarium oxysporum (MIC: 0.125-2 μg/mL) . This compound is a valuable research tool for studying antifungal mechanisms and mTOR-related pathways in biochemical assays.
CAS Number
156223-31-3
Field of Research
Infectious Disease & Virology
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

23,27-Epoxy-1H,3H-pyrrolo[2,1-c][1,4]oxaazacyclohentriacontine-1,5,11,28,29(4H,6H)-pentone, 9,10,12,13,14,21,22,23,24,25,26,27,31,32,33,33a-hexadecahydro-9,27-dihydroxy-3-[(1R)-2-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]-1-methylethyl]-10,21-dimethoxy-6,8,12,14,20,26-hexamethyl-, (3S,6R,7E,9R,10R,12R,14S,15E,17E,19E,21S,23S,26R,27R,33aS)-
CAS Number156223-31-3
PubChem CID166639500
IUPAC Name(1R,8S,14R,15E,17R,20R,22S,25E,27Z,31S,34R)-1,17-dihydroxy-11-[(2R)-1-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl]-18,29-dimethoxy-14,16,20,22,28,34-hexamethyl-10,35-dioxa-4-azatricyclo[29.3.1.04,8]pentatriaconta-15,23,25,27-tetraene-2,3,9,13,19-pentone
Molecular FormulaC50H77NO13
Molecular Weight900.1
XLogP5.7
Topological Polar Surface Area195
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count13
Rotatable Bond Count6
Heavy Atom Count64
Formal Charge0
Complexity1740
SMILES
C[C@@H]1CC[C@H]2CC(/C(=C\C=C\C=C[C@H](C[C@H](C(=O)C([C@@H](/C(=C/[C@H](C(=O)CC(OC(=O)[C@@H]3CCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)C)/C)O)OC)C)C)/C)OC
InChI
InChI=1S/C50H77NO13/c1-29-15-12-11-13-16-30(2)41(60-8)27-37-20-18-35(7)50(59,64-37)47(56)48(57)51-22-14-17-38(51)49(58)63-42(32(4)25-36-19-21-39(52)43(26-36)61-9)28-40(53)31(3)24-34(6)45(55)46(62-10)44(54)33(5)23-29/h11-13,15-16,24,29,31-33,35-39,41-43,45-46,52,55,59H,14,17-23,25-28H2,1-10H3/b13-11+,15-12?,30-16-,34-24+/t29-,31-,32-,33-,35-,36+,37+,38+,39-,41?,42?,43-,45-,46?,50-/m1/s1
InChIKey
RUAWAUYKGXTUTF-AKSMQARFSA-N
Chemical Structure
2D Structure
2D structure of 23,27-Epoxy-1H,3H-pyrrolo[2,1-c][1,4]oxaazacyclohentriacontine-1,5,11,28,29(4H,6H)-pentone, 9,10,12,13,14,21,22,23,24,25,26,27,31,32,33,33a-hexadecahydro-9,27-dihydroxy-3-[(1R)-2-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]-1-methylethyl]-10,21-dimethoxy-6,8,12,14,20,26-hexamethyl-, (3S,6R,7E,9R,10R,12R,14S,15E,17E,19E,21S,23S,26R,27R,33aS)-
CAS: 156223-31-3
CID: 166639500
Formula: C50H77NO13
MW: 900.1
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight900.1
XLogP35.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count13
Rotatable Bond Count6
Exact Mass899.53949151
Monoisotopic Mass899.53949151
Topological Polar Surface Area195 Ų
Heavy Atom Count64
Formal Charge0
Complexity1740
Isotope Atom Count0
Defined Atom Stereocenter Count12
Undefined Atom Stereocenter Count3
Defined Bond Stereocenter Count3
Undefined Bond Stereocenter Count1
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes