成人免费xx,国产又黄又湿又刺激不卡网站,成人性视频app菠萝网站,色天天天天

Home Cart 0 Sign in  

[ CAS No. 88-65-3 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 88-65-3
Chemical Structure| 88-65-3
Structure of 88-65-3 * Storage: {[proInfo.prStorage]}

Please Login or Create an Account to: See VIP prices and availability

Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Search after Editing

* Storage: {[proInfo.prStorage]}

* Shipping: {[proInfo.prShipping]}

Quality Control of [ 88-65-3 ]

Related Doc. of [ 88-65-3 ]

Alternatived Products of [ 88-65-3 ]
Product Citations

Product Citations

Shifali Shishodia ; Raymundo Nu?ez ; Brayden P. Strohmier , et al. DOI: PubMed ID:

Abstract: PBRM1 is a subunit of the PBAF chromatin remodeling complex that uniquely contains six bromodomains. PBRM1 can operate as a tumor suppressor or tumor promoter. PBRM1 is a tumor promoter in prostate cancer, contributing to migratory and immunosuppressive phenotypes. Selective chemical probes targeting PBRM1 bromodomains are desired to elucidate the association between aberrant PBRM1 chromatin binding and cancer pathogenesis and the contributions of PBRM1 to immunotherapy. Previous PBRM1 inhibitors unselectively bind SMARCA2 and SMARCA4 bromodomains with nanomolar potency. We used our protein-detected NMR screening pipeline to screen 1968 fragments against the second PBRM1 bromodomain, identifying 17 hits with Kd values from 45 μM to >2 mM. Structure–activity relationship studies on the tightest-binding hit resulted in nanomolar inhibitors with selectivity for PBRM1 over SMARCA2 and SMARCA4. These chemical probes inhibit the association of full-length PBRM1 to acetylated histone peptides and selectively inhibit growth of a PBRM1-dependent prostate cancer cell line.

Purchased from AmBeed: ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; 100-52-7 ; 123-11-5 ; 1711-06-4 ; 454-89-7 ; ; ; ; ; ; ; ; ; ; ; ; ; 118-92-3 ; 22458-07-7 ; ; ; ; ; 97-96-1 ; ; 89-98-5

Product Details of [ 88-65-3 ]

CAS No. :88-65-3 MDL No. :MFCD00002402
Formula : C7H5BrO2 Boiling Point : -
Linear Structure Formula :(Br)C6H4(COOH) InChI Key :XRXMNWGCKISMOH-UHFFFAOYSA-N
M.W : 201.02 Pubchem ID :6940
Synonyms :

Calculated chemistry of [ 88-65-3 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 10
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.0
Num. rotatable bonds : 1
Num. H-bond acceptors : 2.0
Num. H-bond donors : 1.0
Molar Refractivity : 41.1
TPSA : 37.3 ?2

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -5.96 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.45
Log Po/w (XLOGP3) : 2.2
Log Po/w (WLOGP) : 2.15
Log Po/w (MLOGP) : 2.36
Log Po/w (SILICOS-IT) : 1.9
Consensus Log Po/w : 2.01

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 0.0
Bioavailability Score : 0.56

Water Solubility

Log S (ESOL) : -2.85
Solubility : 0.284 mg/ml ; 0.00141 mol/l
Class : Soluble
Log S (Ali) : -2.62
Solubility : 0.485 mg/ml ; 0.00241 mol/l
Class : Soluble
Log S (SILICOS-IT) : -2.63
Solubility : 0.473 mg/ml ; 0.00236 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.06

Safety of [ 88-65-3 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P305+P351+P338 UN#:N/A
Hazard Statements:H302-H315-H319-H335 Packing Group:N/A
GHS Pictogram:

Applications of [ 88-65-3 ]

2-Bromobenzoic acid (CAS: 88-65-3) can be used in the preparation of Salicylic acid (CAS: 69-72-7). Salicylic acid exhibits bacteriostatic, fungicidal, and keratolytic actions. Its salts, known as salicylates, are commonly used as analgesics.

Application In Synthesis of [ 88-65-3 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Upstream synthesis route of [ 88-65-3 ]
  • Downstream synthetic route of [ 88-65-3 ]

[ 88-65-3 ] Synthesis Path-Upstream   1~3

  • 1
  • [ 50-01-1 ]
  • [ 88-65-3 ]
  • [ 20198-19-0 ]
YieldReaction ConditionsOperation in experiment
52% With copper(l) iodide; caesium carbonate In N,N-dimethyl-formamide at 110℃; for 24 h; 1.00 g (4.97mmol) of 2-bromobenzoic acid 44, 2.00 g (9.95 mmol) of guanidine hydrochloride, 6.48 g (19.9 mmol) of cesium carbonate and 95 mg (0.497mmol) of copper(I) iodide were dissolved in 20 ml of abs. DMF and stirred at 110 °C for 24 h. The solvent was distilled off in vacuo and the residue filtered through a short pad of silica gel using methanol as eluent. After recrystallization from ethanol 717 mg (52percent) of 2-aminoquinazolone 10 were obtained as a colorless solid. Mp.: >300°C. 1H-NMR(250 MHz, DMSO-d6): / ppm = 10.95 (s, 1H, NH); 7.87 (dd,J =7.9 Hz,J =1.5 Hz, 1H, Ar-H); 7.55 (ddd,J =8.5 Hz,J =7.2 Hz,J =1.6 Hz; 1H, Ar-H); 7.19 (d,J =8.2 Hz, 1H, Ar-H); 7.09 (t,J =7.5 Hz, 1H, Ar-H); 6.34 (br, 2H, NH2). 13C-NMR(75.4 MHz, DMSO-d6): / ppm = 163.2, 152.4, 150.2, 133.9, 125.9, 123.1, 121.4, 117.1. IR: ν = 3581 (w); 3399 (m); 3147 (m); 3063 (m); 2642 (m); 1801 (w); 1689 (m); 1657 (m); 1633 (m); 1608 (s); 1575 (m); 1558 (m); 1511 (m); 1473 (s); 1451 (m); 1402 (m); 1340 (m); 1248 (m); 1166 (m); 1153 (m); 1123 (m); 1041 (m); 1018 (m); 897 (m); 785 (m); 764 (s); 716 (w); 680 (m);623 (m); 591 (m); 537 (s); 491 (m); 465 (m). Anal. calcd. for C8H7N3O*1/3H2O(167,1): C 57.50; H 4.62; N 25.15; found: C 57.65; H 4.41; N 25.30.
Reference： [1] Applied Organometallic Chemistry, 2014, vol. 28, # 9, p. 661 - 665
[2] Synthesis, 2009, # 16, p. 2679 - 2688
[3] Bioorganic and Medicinal Chemistry Letters, 2014, vol. 24, # 24, p. 5576 - 5580
  • 2
  • [ 88-65-3 ]
  • [ 23600-83-1 ]
Reference： [1] Journal of the Chemical Society, 1955, p. 1278,1280
  • 3
  • [ 123-75-1 ]
  • [ 88-65-3 ]
  • [ 78648-27-8 ]
Reference： [1] Archiv der Pharmazie, 1981, vol. 314, # 6, p. 524 - 531
Recommend Products
Same Skeleton Products

Technical Information

Historical Records
; ;