CAS 58735-64-1|isoroquefortine C

Introduction：Basic information about CAS 58735-64-1|isoroquefortine C, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. isoroquefortine C BiologicalActivity
3. Chemical & Physical Properties
4. Toxicological Information
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
5. Safety Information
6. Customs
7. Articles25
8. Synonyms

Common Name	isoroquefortine C
CAS Number	58735-64-1	Molecular Weight	389.450
Density	1.4±0.1 g/cm3	Boiling Point	768.3±60.0 °C at 760 mmHg
Molecular Formula	C₂₂H₂₃N₅O₂	Melting Point	/
MSDS	ChineseUSA	Flash Point	418.4±32.9 °C

Names

Name	roquefortine c
Synonym	More Synonyms

isoroquefortine C BiologicalActivity

Description	Roquefortine C, a fungal cyclopeptide isolated from Penicillium roquefortii, activates P-gp and also inhibits P450-3A and other haemoproteins. Roquefortine C has bacteriostatic activities against Gram-positive bacteria[1].
Related Catalog	Research Areas >>CancerResearch Areas >>InfectionSignaling Pathways >>Metabolic Enzyme/Protease >>Cytochrome P450Signaling Pathways >>Membrane Transporter/Ion Channel >>P-glycoproteinSignaling Pathways >>Anti-infection >>Bacterial
References	[1]. García-Rico RO, et al. Effect of a heterotrimeric G protein alpha subunit on conidia germination, stress response, and roquefortine C production in Penicillium roqueforti. Food Addit Contam. 2005 Apr;22(4):361-8.

Chemical & Physical Properties

Density	1.4±0.1 g/cm3
Boiling Point	768.3±60.0 °C at 760 mmHg
Molecular Formula	C₂₂H₂₃N₅O₂
Molecular Weight	389.450
Flash Point	418.4±32.9 °C
Exact Mass	389.185181
PSA	90.12000
LogP	1.40
Vapour Pressure	0.0±2.6 mmHg at 25°C
Index of Refraction	1.687
InChIKey	SPWSUFUPTSJWNG-SXGWCWSVSA-N
SMILES	C=CC(C)(C)C12CC3C(=O)NC(=Cc4cnc[nH]4)C(=O)N3C1Nc1ccccc12

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: UQ4730500

CAS REGISTRY NUMBER :: 58735-64-1

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C22-H23-N5-O2

MOLECULAR WEIGHT :: 389.50

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 15 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: EXPEAM Experientia. (Birkhaeuser Verlag, POB 133, CH-4010 Basel, Switzerland) V.1- 1945- Volume(issue)/page/year: 32,140,1976

Safety Information

Risk Phrases	23/24/25
Safety Phrases	22-36/37/39-45
RIDADR	UN 2811 6.1/PG 2
HS Code	2933990090

Customs

HS Code	2933990090
Summary	2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Articles25

Novel key metabolites reveal further branching of the roquefortine/meleagrin biosynthetic pathway.

J. Biol. Chem. 288(52) , 37289-95, (2013)

Metabolic profiling and structural elucidation of novel secondary metabolites obtained from derived deletion strains of the filamentous fungus Penicillium chrysogenum were used to reassign various pre...

Determination of selected mycotoxins in mould cheeses with liquid chromatography coupled to tandem with mass spectrometry.

Food Addit. Contam. 22(5) , 449-56, (2005)

A simple and feasible method is described for analysing nine mycotoxins in cheese matrix. The method involves liquid extraction followed by high performance liquid chromatographic separation and mass ...

A single cluster of coregulated genes encodes the biosynthesis of the mycotoxins roquefortine C and meleagrin in Penicillium chrysogenum.

Chem. Biol. 18(11) , 1499-512, (2011)

A single gene cluster of Penicillium chrysogenum contains genes involved in the biosynthesis and secretion of the mycotoxins roquefortine C and meleagrin. Five of these genes have been silenced by RNA...

Synonyms

isoroquefortine C

roquefortine from penicillium*roqueforti

10b-(1,1-dimethyl-allyl)-3-(1(3)H-imidazol-4-ylmethylene)-2,3,6,10b,11,11a-hexahydro-5aH-pyrazino[1',2':1,5]pyrrolo[2,3-b]indole-1,4-dione

2H-Pyrazino[1',2':1,5]pyrrolo[2,3-b]indole-1,4(3H,5aH)-dione, 10b-(1,1-dimethyl-2-propen-1-yl)-6,10b,11,11a-tetrahydro-3-(1H-imidazol-5-ylmethylene)-, (3Z,5aS,10bR,11aS)-

(3Z,5aS,10bR,11aS)-3-(1H-Imidazol-5-ylmethylene)-10b-(2-methyl-3-buten-2-yl)-6,10b,11,11a-tetrahydro-2H-pyrazino[1',2':1,5]pyrrolo[2,3-b]indole-1,4(3H,5aH)-dione

2H-Pyrazino[1',2':1,5]pyrrolo[2,3-b]indole-1,4(3H,5aH)-dione

isoroquefortine

Roquefortin

PYRAZINO1215PYRROLO23BINDOLE143H5AH

RORIFONE

ROQUEFORTINE

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