Chlorindanol - CAS 145-94-8

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Category
APIs
Product Name
Chlorindanol
Catalog Number
145-94-8
Synonyms
7-chloro-2,3-dihydro-1H-inden-4-ol CHLORINDANOL 7-Chloro-2,3-dihydro-1H-inden-4-ol 145-94-8 7-Chloro-4-indanol Clorindanol Lanesta 4-Indanol, 7-chloro- Clorindanolum [INN-Latin] NSC-158565 1H-Inden-4-ol, 7-chloro-2,3-dihydro- UNII-7902N03BH0 HSDB 2157 NSC
CAS Number
145-94-8
Description
Chlorindanol is a new antiseptic agent whose antimicrobial activity was determined by inoculating representative species of bacteria and fungi into liquid culture medin containing varied concentrations of the compound.
Molecular Weight
168.62
Molecular Formula
C9H9ClO
Quantity
Grams-Kilos
COA
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MSDS
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Canonical SMILES
C1CC2=C(C=CC(=C2C1)Cl)O
InChI
1S/C9H9ClO/c10-8-4-5-9(11)7-3-1-2-6(7)8/h4-5,11H,1-3H2
InChIKey
ATAJVFBUUIBIEO-UHFFFAOYSA-N
Structure
CAS 145-94-8 Chlorindanol
Specification
Boiling Point
290.0±40.0 °C | Condition: Press: 760 Torr
Melting Point
91-93 °C
Density
1.308±0.06 g/cm3
Appearance
Solid powder
Storage
Store in a cool and dry place and at 0 - 4℃ for short term (days to weeks) or -73℃ for long term (months to years).
Solubility
Soluble in DMSO
Shelf Life
2 years
Reference Reading
1.Discovery of (R)-1-(7-chloro-2,2-bis(fluoromethyl)chroman-4-yl)-3-(3-methylisoquinolin-5-yl)urea (A-1165442): a temperature-neutral transient receptor potential vanilloid-1 (TRPV1) antagonist with analgesic efficacy.
Voight EA1, Gomtsyan AR, Daanen JF, Perner RJ, Schmidt RG, Bayburt EK, DiDomenico S, McDonald HA, Puttfarcken PS, Chen J, Neelands TR, Bianchi BR, Han P, Reilly RM, Franklin PH, Segreti JA, Nelson RA, Su Z, King AJ, Polakowski JS, Baker SJ, Gauvin DM, Lewis LR, Mikusa JP, Joshi SK, Faltynek CR, Kym PR, Kort ME. J Med Chem. 2014 Sep 11;57(17):7412-24. doi: 10.1021/jm500916t. Epub 2014 Aug 21.
The synthesis and characterization of a series of selective, orally bioavailable 1-(chroman-4-yl)urea TRPV1 antagonists is described. Whereas first-generation antagonists that inhibit all modes of TRPV1 activation can elicit hyperthermia, the compounds disclosed herein do not elevate core body temperature in preclinical models and only partially block acid activation of TRPV1. Advancing the SAR of this series led to the eventual identification of (R)-1-(7-chloro-2,2-bis(fluoromethyl)chroman-4-yl)-3-(3-methylisoquinolin-5-yl)urea (A-1165442, 52), an analogue that possesses excellent pharmacological selectivity, has a favorable pharmacokinetic profile, and demonstrates good efficacy against osteoarthritis pain in rodents.
2.(7-Chloro-2-oxo-2H-chromen-4-yl)methyl di-ethyl-carbamodi-thio-ate.
Meenakshi TG1, Shylajakumari J2, Devarajegowda HC3, Kumar KM4, Kotresh O4. Acta Crystallogr Sect E Struct Rep Online. 2013 Aug 14;69(Pt 9):o1431-2. doi: 10.1107/S160053681302240X. eCollection 2013.
In the title compound, C15H16ClNO2S2, the 2H-chromene ring system is nearly planar, with a maximum deviation of 0.023 (2) Å. In the crystal, C-H⋯O hydrogen bonds give R 2 (1)(7) motifs, which generate [100] chains. C-H⋯π and π-π inter-actions between chromene moieties [shortest ring centroid-centroid distance = 3.6199 (13) Å] consolidate the packing.
3.Novel benzoxazine-based aglycones block glucose uptake in vivo by inhibiting glycosidases.
Bharathkumar H1, Sundaram MS2, Jagadish S3, Paricharak S4, Hemshekhar M2, Mason D5, Kemparaju K2, Girish KS2, Basappa1, Bender A5, Rangappa KS3. PLoS One. 2014 Jul 21;9(7):e102759. doi: 10.1371/journal.pone.0102759. eCollection 2014.
Glycoside hydrolases catalyze the selective hydrolysis of glycosidic bonds in oligosaccharides, polysaccharides, and their conjugates. β-glucosidases occur in all domains of living organisms and constitute a major group among glycoside hydrolases. On the other hand, the benzoxazinoids occur in living systems and act as stable β-glucosides, such as 2-(2,4-dihydroxy-7-methoxy-2H-1,4-benzoxazin-3(4H)-one)-β-D-gluco-pyranose, which hydrolyse to an aglycone DIMBOA. Here, we synthesized the library of novel 1,3-benzoxazine scaffold based aglycones by using 2-aminobenzyl alcohols and aldehydes from one-pot reaction in a chloroacetic acid catalytic system via aerobic oxidative synthesis. Among the synthesized benzoxazines, 4-(7-chloro-2,4-dihydro-1H-benzo[d][1,3]oxazin-2-yl)phenol (compound 7) exhibit significant inhibition towards glucosidase compared to acarbose, with a IC50 value of 11.5 µM. Based upon results generated by in silico target prediction algorithms (Naïve Bayesian classifier), these aglycones potentially target the additional sodium/glucose cotransporter 1 (where a log likelihood score of 2.
4.Methyl 1-[(Z)-2-(benzyloxycarbonyl)hydrazin-1-ylidene]-5-chloro-2-hydroxy-indane-2-carboxylate.
Dong K1, Wang Y1. Acta Crystallogr Sect E Struct Rep Online. 2014 Apr 9;70(Pt 5):o527. doi: 10.1107/S1600536814007429. eCollection 2014.
The title compound, C19H17ClN2O5, is an important inter-mediate for the synthesis of the pesticide Indoxacarb [systematic name: (S)-methyl 7-chloro-2-{[(meth-oxy-carbon-yl)[4-(tri-fluoro-meth-oxy)phen-yl]amino]-carbon-yl}-2H,3H,4aH,5H-indeno-[1,2-e][1,3,4]oxadiazine-4a-carboxyl-ate] The C=N double bond has a Z conformation. An intra-molecular N-H⋯O hydrogen bond occurs. In the crystal structure, O-H⋯O hydrogen bonds result in the formation of 12-membered rings lying about inversion centers with R (4) 4(12) motifs.
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