Prolylrapamycin

CAT: 0931-T88966-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0931-T88966-01Size:10 mg

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CAS Number

156223-31-3

Target

Antifungal

Related Pathways

Microbiology/Virology

Bioactivity

Prolylrapamycin (21-Norrapamycin), a derivative of Rapamycin, exhibits antifungal activity. It effectively inhibits Candida albicans, Saccharomyces cerevisiae, and Fusarium oxysporum with MIC values ranging from 0.125 to 2 μg/mL.

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

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 Number	156223-31-3
PubChem CID	166639500
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 Formula	C50H77NO13
Molecular Weight	900.1
XLogP	5.7
Topological Polar Surface Area	195
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	13
Rotatable Bond Count	6
Heavy Atom Count	64
Formal Charge	0
Complexity	1740

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

CAS: 156223-31-3

CID: 166639500

Formula: C50H77NO13

MW: 900.1

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	900.1
XLogP3	5.7
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	13
Rotatable Bond Count	6
Exact Mass	899.53949151
Monoisotopic Mass	899.53949151
Topological Polar Surface Area	195 Å²
Heavy Atom Count	64
Formal Charge	0
Complexity	1740
Isotope Atom Count	0
Defined Atom Stereocenter Count	12
Undefined Atom Stereocenter Count	3
Defined Bond Stereocenter Count	3
Undefined Bond Stereocenter Count	1
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
HY-135445	Prolylrapamycin
RM-R161304-01	21-Norrapamycin; Prolylrapamycin

Prolylrapamycin

Chemical Information

Alternative Products

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