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TAK-779

NMR下載 COA and HPLC MSDS下載
names：
TAK-779
CAS號(hào)：
229005-80-5
MDL Number： MFCD05662319
MF(分子式)： C33H39ClN2O2 MW(分子量)： 531.13
EINECS:No data available Reaxys Number:No data available
Pubchem ID:183789 Brand:BIOFOUNT

TAK-779(229005-80-5)是趨化因子受體CCR2和CCR5的有效雙重拮抗劑，在CCR5處IC50 = 1.4 nM，在CCR2處IC50 = 2.3 nM。已經(jīng)研究了CCR2和CCR5的拮抗劑（例如TAK-779）用于治療病毒，類風(fēng)濕性關(guān)節(jié)炎，多發(fā)性硬化癥和癌癥。CCR5特別針對(duì)抗HIV治療，因?yàn)镠IV進(jìn)入細(xì)胞需要趨化因子共受體CCR5和CXCR4。

貨品編碼	規(guī)格	純度	價(jià)格 (￥)	現(xiàn)價(jià)(￥)	特價(jià)(￥)	庫存描述	數(shù)量	總計(jì) (￥)
YZM000626-10mg	10mg	99.73%	￥ 1873.00	￥ 1873.00		2-3天	- +	￥ 0.00
YZM000626-5mg	5mg	99.73%	￥ 1004.25	￥ 1004.25		2-3天	- +	￥ 0.00

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中文別名	TAK-779(229005-80-5),N，N-二甲基-N-（4-（（（（2-（4-甲基苯基）-6,7-二氫-5H-苯并環(huán)庚烯-8-基）羰基）氨基）芐基）四氫-2H-吡喃-4-氯化銨;N-（（4-（（（（6,7-dihydro-2-（4-methylphenyl）-5H-benzocyclohepten-8-yl）羰基）氨基）苯基）甲基）四氫-N，N-二甲基-2H-吡喃-4-氯化銨;達(dá)779;
英文別名	TAK-779(229005-80-5);TAK 779;N,N-dimethyl-N-(4-(((2-(4-methylphenyl)-6,7-dihydro-5H-benzocyclohepten-8-yl)carbonyl)amino)benzyl)tetrahydro-2H-pyran-4-aminium chloride;N-((4-(((6,7-dihydro-2-(4-methylphenyl)-5H-benzocyclohepten-8-yl)carbonyl)amino)phenyl)methyl)tetrahydro-N,N-dimethyl-2H-pyran-4-aminium chloride;
CAS號(hào)	229005-80-5
Inchi	InChI=1S/C33H38N2O2.ClH/c1-24-7-11-27(12-8-24)28-14-13-26-5-4-6-29(22-30(26)21-28)33(36)34-31-15-9-25(10-16-31)23-35(2,3)32-17-19-37-20-18-32;/h7-16,21-22,32H,4-6,17-20,23H2,1-3H3;1H
InchiKey	VDALIBWXVQVFGZ-UHFFFAOYSA-N
分子式 Formula	C33H39ClN2O2
分子量 Molecular Weight	531.13
溶解度Solubility	生物體外In Vitro:DMSO溶解度≥ 25 mg/mL(47.07 mM)H2O : 16.66 mg/mL(31.37 mM;Need ultrasonic and warming)*"≥" means soluble可溶, but saturation unknown溶解度未知.
性狀	白色至米色固體粉末,Power
儲(chǔ)藏條件 Storage conditions	2-8°攝氏度

TAK-779(229005-80-5)實(shí)驗(yàn)注意事項(xiàng)：
1.實(shí)驗(yàn)前需戴好防護(hù)眼鏡，穿戴防護(hù)服和口罩，佩戴手套，避免與皮膚接觸。
2.實(shí)驗(yàn)過程中如遇到有毒或者刺激性物質(zhì)及有害物質(zhì)產(chǎn)生，必要時(shí)實(shí)驗(yàn)操作需要手套箱內(nèi)完成以免對(duì)實(shí)驗(yàn)人員造成傷害
3.實(shí)驗(yàn)后產(chǎn)生的廢棄物需分類存儲(chǔ)，并交于專業(yè)生物廢氣物處理公司處理，以免造成環(huán)境污染Experimental considerations:
1. Wear protective glasses, protective clothing and masks, gloves, and avoid contact with the skin during the experiment.
2. The waste generated after the experiment needs to be stored separately, and handed over to a professional biological waste gas treatment company to avoid environmental pollution.

Tags:TAK-779試劑,TAK-779雜質(zhì),TAK-779中間體,TAK-779密度,TAK-779溶解度,TAK-779旋光度,TAK-779閃點(diǎn),TAK-779購買,

產(chǎn)品說明	(229005-80-5)TAK-779 是一種有效的選擇性的非肽類CCR5和CXCR3拮抗劑,對(duì)CCR5的Ki值是1.1nM,同時(shí)可以有效地,選擇性地抑制R5 HIV-1,在 MAGI-CCR5 細(xì)胞中,EC50和EC90值分別是1.2nM和5.7nM
Introduction	(229005-80-5)TAK79 is a potent and selective nonpeptide antagonist of CCR5andCXCR3, with aKiof ?1.1 nM for CCR5, and effectively and selectively inhibitsR5 HIV,
Application1	withEC50andEC90of ?1.2 nM and 5.7 nM, respectively, in MAGICR5 cells.
Application2
Application3

TAK-779(229005-80-5）藥理學(xué)：
TAK-779是CCR5受體拮抗劑可以抑制或阻斷CCR5受體活性的化合物和藥物。TAK-779是一種高效且選擇性的非肽CCR5拮抗劑，在結(jié)合試驗(yàn)中的IC50值為1.4nM。TAK-779還抑制了巨噬細(xì)胞（M）嗜性HIV-1（Ba-L株）在兩種MAGI中的復(fù)制-CCR5細(xì)胞和PBMC的EC50值分別為1.2和3.7 nM； IC50值：1.4 nM；靶標(biāo)：CCR5；體外：TAK-779，一種小分子非肽化合物（Mr 531.13），拮抗RANTES（在激活，正常T細(xì)胞表達(dá)和分泌時(shí)受到調(diào)節(jié)）與表達(dá)CCR5的中國倉鼠卵巢細(xì)胞的結(jié)合，并在納摩爾濃度下阻斷CCR5介導(dǎo)的Ca2 +信號(hào)傳導(dǎo)。TAK-779對(duì)β趨化因子受體的抑制作用似乎對(duì)CCR5具有特異性，因?yàn)樵摶衔镌谳^小程度上拮抗CCR2b，但不影響CCR1，CCR3或CCR4。所以，TAK-779對(duì)R5 HIV-1復(fù)制具有很強(qiáng)的選擇性抑制作用，而對(duì)宿主細(xì)胞無任何細(xì)胞毒性。該化合物抑制R5的復(fù)制。

警示圖
危險(xiǎn)性	warning
危險(xiǎn)性警示	Not available
安全聲明	H303吞入可能有害+H313皮膚接觸可能有害+H2413吸入可能對(duì)身體有害
安全防護(hù)	P264處理后徹底清洗+P280戴防護(hù)手套/穿防護(hù)服/戴防護(hù)眼罩/戴防護(hù)面具+P305如果進(jìn)入眼睛+P351用水小心沖洗幾分鐘+P338取出隱形眼鏡（如果有）并且易于操作,繼續(xù)沖洗+P337如果眼睛刺激持續(xù)+P2393獲得醫(yī)療建議/護(hù)理
備注	實(shí)驗(yàn)過程中防止吸入、食入，做好安全防護(hù)

Baba M, et al. A small-molecule, nonpeptide CCR5 antagonist with highly potent and selective anti-HIV-1 activity. Proc Natl Acad Sci U S A. 1999 May 11;96(10):5698-703.

Takama Y, et al. Effects of a calcineurin inhibitor, FK506, and a CCR5/CXCR3 antagonist, TAK-779, in a rat small intestinal transplantation model. Transpl Immunol. 2011 Jul;25(1):49-55.

Ni J, et al. The chemokine receptor antagonist, TAK-779, decreased experimental autoimmune encephalomyelitis by reducing inflammatory cell migration into the central nervous system, without affecting

Gao P, et al. The unique target specificity of a nonpeptide chemokine receptor antagonist: selective blockade of two Th1 chemokine receptors CCR5 and CXCR3. J Leukoc Biol. 2003 Feb;73(2):273-80.

Effects of a calcineurin inhibitor, FK506, and a CCR5/CXCR3 antagonist, TAK-779, in a rat small intestinal transplantation model PMID 21515370; Transplant immunology 2011 Jul; 25(1):49-55

TAK-779(229005-80-5)參考文獻(xiàn)：

1.CXCR3拮抗劑VUF10085與不同于廣譜拮抗劑TAK-779的螺旋內(nèi)部位結(jié)合。
Nedjai B1, Viney JM, Li H, Hull C, Anderson CA, Horie T, Horuk R, Vaidehi N, Pease JE. Br J Pharmacol. 2015 Apr;172(7):1822-33. doi: 10.1111/bph.13027. Epub 2015 Feb 10.
BACKGROUND AND PURPOSE: The chemokine receptor CXCR3 is implicated in a variety of clinically important diseases, notably rheumatoid arthritis and atherosclerosis. Consequently, antagonists of CXCR3 are of therapeutic interest. In this study, we set out to characterize binding sites of the specific low MW CXCR3 antagonist VUF10085 and the broad spectrum antagonist TAK-779 which blocks CXCR3 along with CCR2 and CCR5.

2.通過后期鈴木-宮浦交叉偶聯(lián)對(duì)TAK-779的4-甲基苯基部分進(jìn)行各種修飾。
Junker A1, Schepmann D, Yamaguchi J, Itami K, Faust A, Kopka K, Wagner S, Wünsch B. Org Biomol Chem. 2014 Jan 7;12(1):177-86. doi: 10.1039/c3ob41873a. Epub 2013 Nov 12.
Chemokine receptor 5 (CCR5) antagonists provide a new therapeutic approach in the treatment of HIV-1 (AIDS). TAK-779 displays high affinity and selectivity for the CCR5 receptor and serves as a lead compound for the development of further antagonists. In order to increase the oral bioavailability replacement of the quaternary ammonium structure by a tertiary amine and modification of the 4-methylphenyl moiety were envisaged. Herein, a new synthetic strategy for the development of TAK-779 analogs by late stage diversification is reported. The Suzuki-Miyaura cross-coupling reactions allowed various modifications of the central amide building block 3 at the end of the synthesis leading to compounds 2f and 2h with a promising CCR5 binding affinity.

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